1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide

C14H15N5OS — CID 28666996

IUPAC1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide
SMILESCc1ncsc1CCNC(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C14H15N5OS/c1-9-13(21-8-16-9)5-6-15-14(20)10-3-4-12-11(7-10)17-18-19(12)2/h3-4,7-8H,5-6H2,1-2H3,(H,15,20)
InChIKeyPSWJSJZHVCWPTR-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.71
Rot. Bonds4

About 1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide

1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide (PubChem CID 28666996) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide
PubChem CID28666996
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide
SMILESCc1ncsc1CCNC(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C14H15N5OS/c1-9-13(21-8-16-9)5-6-15-14(20)10-3-4-12-11(7-10)17-18-19(12)2/h3-4,7-8H,5-6H2,1-2H3,(H,15,20)
InChIKeyPSWJSJZHVCWPTR-UHFFFAOYSA-N
XLogP1.71
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-1-methylbenzotriazole-5-carboxamide
CID 71933405
N-(3-aminopropyl)-1-methylbenzotriazole-5-carboxamide
CID 119404950
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718390
3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718386
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110743024
N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
CID 119625904
4-(5-methylfuran-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 131898687
1-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzotriazole-5-carboxamide
CID 86793946
1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide
CID 53051567
4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 122570879
1-methyl-N-(3-pyridin-2-ylpropyl)benzotriazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 154892565
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide
CID 111565667

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide (CID 28666996) is 1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide is Cc1ncsc1CCNC(=O)c1ccc2c(c1)nnn2C.
What is the InChIKey of 1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide?
The InChIKey is PSWJSJZHVCWPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-9-13(21-8-16-9)5-6-15-14(20)10-3-4-12-11(7-10)17-18-19(12)2/h3-4,7-8H,5-6H2,1-2H3,(H,15,20).
What are the key properties of 1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide?
1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 28666996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).