N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide

C15H15N5OS — CID 122141772

IUPACN-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)c1scnc1C1CCCC1
InChIInChI=1S/C15H15N5OS/c21-15(14-13(16-8-22-14)9-3-1-2-4-9)17-10-5-6-11-12(7-10)19-20-18-11/h5-9H,1-4H2,(H,17,21)(H,18,19,20)
InChIKeyFCLAQQDJFVGXAB-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.32
Rot. Bonds3

About N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide

N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide (PubChem CID 122141772) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide
PubChem CID122141772
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)c1scnc1C1CCCC1
InChIInChI=1S/C15H15N5OS/c21-15(14-13(16-8-22-14)9-3-1-2-4-9)17-10-5-6-11-12(7-10)19-20-18-11/h5-9H,1-4H2,(H,17,21)(H,18,19,20)
InChIKeyFCLAQQDJFVGXAB-UHFFFAOYSA-N
XLogP3.32
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide
CID 86790966
N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide
CID 75506058
4-cyclopropyl-N-hydroxy-1,3-thiazole-5-carboxamide
CID 130890993
4-[4-(2H-benzotriazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 118250037
N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide
CID 99783513
4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 127679522
2-(2H-benzotriazol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974751
4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide
CID 75522417
4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide
CID 146089047
N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119280134
N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide
CID 71918391
N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide
CID 75513025

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide (CID 122141772) is N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide is O=C(Nc1ccc2n[nH]nc2c1)c1scnc1C1CCCC1.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide?
The InChIKey is FCLAQQDJFVGXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-15(14-13(16-8-22-14)9-3-1-2-4-9)17-10-5-6-11-12(7-10)19-20-18-11/h5-9H,1-4H2,(H,17,21)(H,18,19,20).
What are the key properties of N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide?
N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122141772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).