N,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide

C21H28N6O2S3 — CID 19720410

IUPACN,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCCCn1c(SCC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)nnc1-c1csc(C(C)C)c1
InChIInChI=1S/C21H28N6O2S3/c1-7-8-27-18(14-9-15(12(2)3)30-10-14)24-25-21(27)31-11-16(28)23-20-22-13(4)17(32-20)19(29)26(5)6/h9-10,12H,7-8,11H2,1-6H3,(H,22,23,28)
InChIKeyCOYIUWRTYFWENN-UHFFFAOYSA-N
MW492.70 g/mol
LogP4.74
Rot. Bonds9

About N,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 19720410) has the molecular formula C21H28N6O2S3 and a molecular weight of 492.70 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID19720410
Molecular FormulaC21H28N6O2S3
Molecular Weight492.70 g/mol
Exact Mass492.14
IUPAC NameN,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCCCn1c(SCC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)nnc1-c1csc(C(C)C)c1
InChIInChI=1S/C21H28N6O2S3/c1-7-8-27-18(14-9-15(12(2)3)30-10-14)24-25-21(27)31-11-16(28)23-20-22-13(4)17(32-20)19(29)26(5)6/h9-10,12H,7-8,11H2,1-6H3,(H,22,23,28)
InChIKeyCOYIUWRTYFWENN-UHFFFAOYSA-N
XLogP4.74
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.70
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-(3,5-dimethylphenyl)-2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19720466
N-(3,4-dichlorophenyl)-2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19720459
N-(2-methoxyphenyl)-2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19720473
N-(2,3-dichlorophenyl)-2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19720455
2-[[2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 19730583
2-[[2-[[5-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 19721473
2-[[2-[[4-ethyl-5-[1-(4-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 17255064
ethyl 2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 19720533
2-[[2-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 19641741
2-[[2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 19729467
2-[[2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 19730832
2-[[4-methyl-5-(5-propan-2-ylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19720037

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide (CID 19720410) is N,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide is CCCn1c(SCC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)nnc1-c1csc(C(C)C)c1.
What is the InChIKey of N,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is COYIUWRTYFWENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2S3/c1-7-8-27-18(14-9-15(12(2)3)30-10-14)24-25-21(27)31-11-16(28)23-20-22-13(4)17(32-20)19(29)26(5)6/h9-10,12H,7-8,11H2,1-6H3,(H,22,23,28).
What are the key properties of N,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 492.70 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[2-[[5-(5-propan-2-ylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 19720410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).