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

C14H15N5OS — CID 94779886

IUPACN-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESCc1nc(C)c([C@H](C)NC(=O)c2ccc3n[nH]nc3c2)s1
InChIInChI=1S/C14H15N5OS/c1-7-13(21-9(3)15-7)8(2)16-14(20)10-4-5-11-12(6-10)18-19-17-11/h4-6,8H,1-3H3,(H,16,20)(H,17,18,19)/t8-/m0/s1
InChIKeyGKLPLYGSYIROPH-QMMMGPOBSA-N
MW301.38 g/mol
LogP2.52
Rot. Bonds3

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

N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide (PubChem CID 94779886) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide
PubChem CID94779886
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESCc1nc(C)c([C@H](C)NC(=O)c2ccc3n[nH]nc3c2)s1
InChIInChI=1S/C14H15N5OS/c1-7-13(21-9(3)15-7)8(2)16-14(20)10-4-5-11-12(6-10)18-19-17-11/h4-6,8H,1-3H3,(H,16,20)(H,17,18,19)/t8-/m0/s1
InChIKeyGKLPLYGSYIROPH-QMMMGPOBSA-N
XLogP2.52
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N,1-dimethylbenzotriazole-5-carboxamide
CID 166194965
1-ethyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzotriazole-5-carboxamide
CID 4824050
N-(2-(2-(4-fluorophenyl)thiazol-4-yl)ethyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 45568619
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-ethylbenzotriazole-5-carboxamide
CID 47024500
2H-benzotriazol-5-yl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72135926
N-((4-methyl-2-(o-tolyl)thiazol-5-yl)methyl)-1H-benzo[d][1,2,3]triazole-5-carboxamide
CID 71795491
N-((2-(2-chlorophenyl)-4-methylthiazol-5-yl)methyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 71795612
N-(2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 71802106
N-(2-(2-methylthiazol-4-yl)phenyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 73168660
N-(2-(2-methylthiazol-4-yl)phenyl)-1H-benzo[d][1,2,3]triazole-5-carboxamide
CID 73168680
N-((5-(thiophen-3-yl)pyridin-3-yl)methyl)-1H-benzo[d][1,2,3]triazole-5-carboxamide
CID 76151106
N-((2-(2-fluorophenyl)-4-methylthiazol-5-yl)methyl)-1H-benzo[d][1,2,3]triazole-5-carboxamide
CID 71795539

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide (CID 94779886) is N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide is Cc1nc(C)c([C@H](C)NC(=O)c2ccc3n[nH]nc3c2)s1.
What is the InChIKey of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is GKLPLYGSYIROPH-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-7-13(21-9(3)15-7)8(2)16-14(20)10-4-5-11-12(6-10)18-19-17-11/h4-6,8H,1-3H3,(H,16,20)(H,17,18,19)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide?
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 94779886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).