N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide

C10H7N5OS — CID 18276930

IUPACN-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C10H7N5OS/c16-9(12-10-11-3-4-17-10)6-1-2-7-8(5-6)14-15-13-7/h1-5H,(H,11,12,16)(H,13,14,15)
InChIKeyQRTAJZPHKOFYGO-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.67
Rot. Bonds2

About N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide

N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide (PubChem CID 18276930) has the molecular formula C10H7N5OS and a molecular weight of 245.27 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide
PubChem CID18276930
Molecular FormulaC10H7N5OS
Molecular Weight245.27 g/mol
Exact Mass245.04
IUPAC NameN-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C10H7N5OS/c16-9(12-10-11-3-4-17-10)6-1-2-7-8(5-6)14-15-13-7/h1-5H,(H,11,12,16)(H,13,14,15)
InChIKeyQRTAJZPHKOFYGO-UHFFFAOYSA-N
XLogP1.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2H-benzotriazole-5-carboxamide
CID 6415129
N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide
CID 29368084
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide
CID 110765316
methyl 3-(2H-benzotriazole-5-carbonylamino)thiophene-2-carboxylate
CID 43422543
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid
CID 63262203
N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
CID 110485084
[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
CID 87845278
N-(1,3-thiazol-2-yl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110131633
3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 6473256

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide (CID 18276930) is N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide is O=C(Nc1nccs1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide?
The InChIKey is QRTAJZPHKOFYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5OS/c16-9(12-10-11-3-4-17-10)6-1-2-7-8(5-6)14-15-13-7/h1-5H,(H,11,12,16)(H,13,14,15).
What are the key properties of N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide?
N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide has a molecular weight of 245.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 18276930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).