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

C17H19N5OS2 — CID 7866554

IUPACN-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(N(C(C)=O)c2nc(CSc3nncn3C)cs2)cc1
InChIInChI=1S/C17H19N5OS2/c1-4-13-5-7-15(8-6-13)22(12(2)23)16-19-14(9-24-16)10-25-17-20-18-11-21(17)3/h5-9,11H,4,10H2,1-3H3
InChIKeyBESAKCMVVMFWEK-UHFFFAOYSA-N
MW373.51 g/mol
LogP3.81
Rot. Bonds6

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

N-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 7866554) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID7866554
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC NameN-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(N(C(C)=O)c2nc(CSc3nncn3C)cs2)cc1
InChIInChI=1S/C17H19N5OS2/c1-4-13-5-7-15(8-6-13)22(12(2)23)16-19-14(9-24-16)10-25-17-20-18-11-21(17)3/h5-9,11H,4,10H2,1-3H3
InChIKeyBESAKCMVVMFWEK-UHFFFAOYSA-N
XLogP3.81
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 9272803
N-(2-fluorophenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 40580408
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-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-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 16527843
N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 38540845
N-(4-ethylphenyl)-N-[4-[(3-methoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 35041396
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
N-(3,4-dimethylphenyl)-N-[4-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 78759435
N-[4-[(4-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide
CID 86885105

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 7866554) is N-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CCc1ccc(N(C(C)=O)c2nc(CSc3nncn3C)cs2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BESAKCMVVMFWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c1-4-13-5-7-15(8-6-13)22(12(2)23)16-19-14(9-24-16)10-25-17-20-18-11-21(17)3/h5-9,11H,4,10H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 373.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 7866554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).