N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide

C15H17N5OS2 — CID 53378079

IUPACN-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide
SMILESCSCC[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1
InChIInChI=1S/C15H17N5OS2/c1-22-6-3-12(17-14(21)11-2-7-23-9-11)13-8-20(19-18-13)15(10-16)4-5-15/h2,7-9,12H,3-6H2,1H3,(H,17,21)/t12-/m0/s1
InChIKeyLUAUVCUVOOHNPS-LBPRGKRZSA-N
MW347.47 g/mol
LogP2.58
Rot. Bonds7

About N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide

N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide (PubChem CID 53378079) has the molecular formula C15H17N5OS2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide
PubChem CID53378079
Molecular FormulaC15H17N5OS2
Molecular Weight347.47 g/mol
Exact Mass347.09
IUPAC NameN-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide
SMILESCSCC[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1
InChIInChI=1S/C15H17N5OS2/c1-22-6-3-12(17-14(21)11-2-7-23-9-11)13-8-20(19-18-13)15(10-16)4-5-15/h2,7-9,12H,3-6H2,1H3,(H,17,21)/t12-/m0/s1
InChIKeyLUAUVCUVOOHNPS-LBPRGKRZSA-N
XLogP2.58
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-1-(4-methylcyclohexyl)ethyl]thiophene-3-carboxamide
CID 53378493
N-[(1S)-1-[1-(cyanomethyl)triazol-4-yl]-1-(4-methylcyclohexyl)ethyl]thiophene-3-carboxamide
CID 69924862
N-[(S)-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-cyclohexylmethyl]thiophene-3-carboxamide
CID 71459754
N-[(2S)-2-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-3-methylbutan-2-yl]thiophene-3-carboxamide
CID 16090560
N-[(1S)-1-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-1-cyclohexylethyl]thiophene-3-carboxamide
CID 16090562
N-[(1S)-1-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-1-(4-methylcyclohexyl)ethyl]thiophene-3-carboxamide
CID 16090563
N-[(2S)-3-methyl-2-[1-[(2S)-1-oxohexan-2-yl]triazol-4-yl]butan-2-yl]thiophene-3-carboxamide
CID 11602978
N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-(4-methylcyclohexyl)ethyl]thiophene-3-carboxamide
CID 71450700
N-[(1S)-1-[1-[(1R)-1-cyanopentyl]triazol-4-yl]-1-(4-methylcyclohexyl)ethyl]thiophene-3-carboxamide
CID 71454284
N-[(1S)-1-[1-(2-cyanopropan-2-yl)triazol-4-yl]-1-(4-methylcyclohexyl)ethyl]thiophene-3-carboxamide
CID 71454285
N-[(1S)-1-[1-[(1S)-1-cyanoethyl]triazol-4-yl]-1-(4-methylcyclohexyl)ethyl]thiophene-3-carboxamide
CID 71457841
N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide
CID 71463202

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide?
The IUPAC name of N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide (CID 53378079) is N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide is CSCC[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1.
What is the InChIKey of N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide?
The InChIKey is LUAUVCUVOOHNPS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5OS2/c1-22-6-3-12(17-14(21)11-2-7-23-9-11)13-8-20(19-18-13)15(10-16)4-5-15/h2,7-9,12H,3-6H2,1H3,(H,17,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide?
N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide has a molecular weight of 347.47 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide is sourced from PubChem (CID 53378079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).