N,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide

C17H19N5O2S2 — CID 17307832

IUPACN,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc2nc(SCC(=O)Nc3nc(C)c(C(=O)N(C)C)s3)[nH]c2c1
InChIInChI=1S/C17H19N5O2S2/c1-9-5-6-11-12(7-9)20-16(19-11)25-8-13(23)21-17-18-10(2)14(26-17)15(24)22(3)4/h5-7H,8H2,1-4H3,(H,19,20)(H,18,21,23)
InChIKeyNFIQZFQTDJOCDP-UHFFFAOYSA-N
MW389.51 g/mol
LogP3.07
Rot. Bonds5

About N,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 17307832) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID17307832
Molecular FormulaC17H19N5O2S2
Molecular Weight389.51 g/mol
Exact Mass389.10
IUPAC NameN,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc2nc(SCC(=O)Nc3nc(C)c(C(=O)N(C)C)s3)[nH]c2c1
InChIInChI=1S/C17H19N5O2S2/c1-9-5-6-11-12(7-9)20-16(19-11)25-8-13(23)21-17-18-10(2)14(26-17)15(24)22(3)4/h5-7H,8H2,1-4H3,(H,19,20)(H,18,21,23)
InChIKeyNFIQZFQTDJOCDP-UHFFFAOYSA-N
XLogP3.07
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1378932
N,N,4-trimethyl-2-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 39757885
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 6499895
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
CID 2172545
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[7-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
CID 17325035
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
CID 2522055
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 17324815
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 155911972
N-(5-fluoro-2-methylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522671
2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide
CID 2443532
2-[methyl-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 2522726

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide (CID 17307832) is N,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide is Cc1ccc2nc(SCC(=O)Nc3nc(C)c(C(=O)N(C)C)s3)[nH]c2c1.
What is the InChIKey of N,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is NFIQZFQTDJOCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c1-9-5-6-11-12(7-9)20-16(19-11)25-8-13(23)21-17-18-10(2)14(26-17)15(24)22(3)4/h5-7H,8H2,1-4H3,(H,19,20)(H,18,21,23).
What are the key properties of N,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 389.51 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17307832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).