N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide

C17H20N6OS2 — CID 9272803

IUPACN-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(C)=O)c2nc(CSc3nnc(C)n3N)cs2)cc1
InChIInChI=1S/C17H20N6OS2/c1-4-13-5-7-15(8-6-13)22(12(3)24)16-19-14(9-25-16)10-26-17-21-20-11(2)23(17)18/h5-9H,4,10,18H2,1-3H3
InChIKeyTVDCBJUVVZLNRF-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.30
Rot. Bonds6

About N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide

N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 9272803) has the molecular formula C17H20N6OS2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
PubChem CID9272803
Molecular FormulaC17H20N6OS2
Molecular Weight388.52 g/mol
Exact Mass388.11
IUPAC NameN-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(C)=O)c2nc(CSc3nnc(C)n3N)cs2)cc1
InChIInChI=1S/C17H20N6OS2/c1-4-13-5-7-15(8-6-13)22(12(3)24)16-19-14(9-25-16)10-26-17-21-20-11(2)23(17)18/h5-9H,4,10,18H2,1-3H3
InChIKeyTVDCBJUVVZLNRF-UHFFFAOYSA-N
XLogP3.30
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 7866554
N-(4-ethylphenyl)-N-[4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 55578534
N-(4-ethylphenyl)-N-[4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 33156492
N-(4-ethylphenyl)-N-[4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 16508654
N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 16527843
N-[4-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 31456717
N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 38540845
N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 34252090
N-[4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 46815804
ethyl 6-[[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate
CID 16556726
N-(4-ethylphenyl)-N-[4-[(3-methoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 35041396
N-[4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4823781

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (CID 9272803) is N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(N(C(C)=O)c2nc(CSc3nnc(C)n3N)cs2)cc1.
What is the InChIKey of N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is TVDCBJUVVZLNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS2/c1-4-13-5-7-15(8-6-13)22(12(3)24)16-19-14(9-25-16)10-26-17-21-20-11(2)23(17)18/h5-9H,4,10,18H2,1-3H3.
What are the key properties of N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 388.52 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 9272803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).