2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide

C14H15N5OS2 — CID 51100133

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCCc1nc(CC(=O)Nc2n[nH]c(-c3ccc(C)s3)n2)cs1
InChIInChI=1S/C14H15N5OS2/c1-3-12-15-9(7-21-12)6-11(20)16-14-17-13(18-19-14)10-5-4-8(2)22-10/h4-5,7H,3,6H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyMCVKOLMZAHKFIO-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.04
Rot. Bonds5

About 2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide

2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 51100133) has the molecular formula C14H15N5OS2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID51100133
Molecular FormulaC14H15N5OS2
Molecular Weight333.44 g/mol
Exact Mass333.07
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCCc1nc(CC(=O)Nc2n[nH]c(-c3ccc(C)s3)n2)cs1
InChIInChI=1S/C14H15N5OS2/c1-3-12-15-9(7-21-12)6-11(20)16-14-17-13(18-19-14)10-5-4-8(2)22-10/h4-5,7H,3,6H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyMCVKOLMZAHKFIO-UHFFFAOYSA-N
XLogP3.04
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
trans-(1S,2S)-2-methyl-N-[3-[[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94801569
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 120566989
2-ethyl-4-(5-methylthiophen-2-yl)-1,3-thiazole
CID 130157214
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 16572684
N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 8750257
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 112697373
2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 71916844
2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide
CID 47378517
2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 120998421
2-(2-ethyl-1,3-thiazol-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 110903716
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide (CID 51100133) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide is CCc1nc(CC(=O)Nc2n[nH]c(-c3ccc(C)s3)n2)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is MCVKOLMZAHKFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS2/c1-3-12-15-9(7-21-12)6-11(20)16-14-17-13(18-19-14)10-5-4-8(2)22-10/h4-5,7H,3,6H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 51100133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).