N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide

C14H14N4OS — CID 94194343

IUPACN-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide
SMILESC[C@@H](Cc1ccsc1)NC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H14N4OS/c1-9(6-10-4-5-20-8-10)15-14(19)11-2-3-12-13(7-11)17-18-16-12/h2-5,7-9H,6H2,1H3,(H,15,19)(H,16,17,18)/t9-/m0/s1
InChIKeyVWTRZNIPXXYXDN-VIFPVBQESA-N
MW286.36 g/mol
LogP2.38
Rot. Bonds4

About N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide

N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide (PubChem CID 94194343) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide
PubChem CID94194343
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide
SMILESC[C@@H](Cc1ccsc1)NC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H14N4OS/c1-9(6-10-4-5-20-8-10)15-14(19)11-2-3-12-13(7-11)17-18-16-12/h2-5,7-9H,6H2,1H3,(H,15,19)(H,16,17,18)/t9-/m0/s1
InChIKeyVWTRZNIPXXYXDN-VIFPVBQESA-N
XLogP2.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61473727
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801
4-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62177548
1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide
CID 75390351
3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471915
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide
CID 99973339
N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
CID 18126143
6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193
N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide
CID 79252072
4-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 62186482
2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide
CID 55974194
5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 63748666

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide (CID 94194343) is N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide is C[C@@H](Cc1ccsc1)NC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide?
The InChIKey is VWTRZNIPXXYXDN-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9(6-10-4-5-20-8-10)15-14(19)11-2-3-12-13(7-11)17-18-16-12/h2-5,7-9H,6H2,1H3,(H,15,19)(H,16,17,18)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide?
N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 94194343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).