N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide

C14H15N5OS2 — CID 53378081

IUPACN-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide
SMILESCSC[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1
InChIInChI=1S/C14H15N5OS2/c1-21-8-12(16-13(20)10-2-5-22-7-10)11-6-19(18-17-11)14(9-15)3-4-14/h2,5-7,12H,3-4,8H2,1H3,(H,16,20)/t12-/m0/s1
InChIKeyKZKLUYRROHPHRK-LBPRGKRZSA-N
MW333.44 g/mol
LogP2.19
Rot. Bonds6

About N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide

N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide (PubChem CID 53378081) has the molecular formula C14H15N5OS2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide
PubChem CID53378081
Molecular FormulaC14H15N5OS2
Molecular Weight333.44 g/mol
Exact Mass333.07
IUPAC NameN-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide
SMILESCSC[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1
InChIInChI=1S/C14H15N5OS2/c1-21-8-12(16-13(20)10-2-5-22-7-10)11-6-19(18-17-11)14(9-15)3-4-14/h2,5-7,12H,3-4,8H2,1H3,(H,16,20)/t12-/m0/s1
InChIKeyKZKLUYRROHPHRK-LBPRGKRZSA-N
XLogP2.19
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.19
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-[(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-[(1S)-1-[1-[(1R)-1-cyanopentyl]triazol-4-yl]-1-(4-methylcyclohexyl)ethyl]thiophene-3-carboxamide
CID 71454284
N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide
CID 71463202
N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylpropyl]thiophene-3-carboxamide
CID 69924681
N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide
CID 69925026
N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-cyclohexylethyl]thiophene-3-carboxamide
CID 69925195
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(4,4-difluorocyclohexyl)methyl]thiophene-3-carboxamide
CID 69925506
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-3-carboxamide
CID 69925527

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide?
The IUPAC name of N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide (CID 53378081) is N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide is CSC[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1.
What is the InChIKey of N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide?
The InChIKey is KZKLUYRROHPHRK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N5OS2/c1-21-8-12(16-13(20)10-2-5-22-7-10)11-6-19(18-17-11)14(9-15)3-4-14/h2,5-7,12H,3-4,8H2,1H3,(H,16,20)/t12-/m0/s1.
What are the key properties of N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide?
N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide is sourced from PubChem (CID 53378081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).