N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C13H17N5OS — CID 97184159

IUPACN-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCCC[C@H](NC(=O)c1cc2c(s1)CCC2)c1nn[nH]n1
InChIInChI=1S/C13H17N5OS/c1-2-4-9(12-15-17-18-16-12)14-13(19)11-7-8-5-3-6-10(8)20-11/h7,9H,2-6H2,1H3,(H,14,19)(H,15,16,17,18)/t9-/m0/s1
InChIKeyLYYYNHVFJNTXID-VIFPVBQESA-N
MW291.38 g/mol
LogP2.02
Rot. Bonds5

About N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 97184159) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID97184159
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCCC[C@H](NC(=O)c1cc2c(s1)CCC2)c1nn[nH]n1
InChIInChI=1S/C13H17N5OS/c1-2-4-9(12-15-17-18-16-12)14-13(19)11-7-8-5-3-6-10(8)20-11/h7,9H,2-6H2,1H3,(H,14,19)(H,15,16,17,18)/t9-/m0/s1
InChIKeyLYYYNHVFJNTXID-VIFPVBQESA-N
XLogP2.02
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 30936913
N-(2H-tetrazol-5-ylmethyl)-5-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 30936917
N-(1H-tetrazol-5-ylmethyl)-5-[1-(3,3,3-trifluoropropyl)-2-pyrrolidinyl]-2-thiophenecarboxamide
CID 45197031
N-[(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 53540738
5-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 60912262
4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 60930524
4-fluoro-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 61852831
6-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 81104107
N-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 95141117
N-[(R)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 95141119
[4,4-difluoro-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 146146538
N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 154846287

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 97184159) is N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is CCC[C@H](NC(=O)c1cc2c(s1)CCC2)c1nn[nH]n1.
What is the InChIKey of N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is LYYYNHVFJNTXID-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N5OS/c1-2-4-9(12-15-17-18-16-12)14-13(19)11-7-8-5-3-6-10(8)20-11/h7,9H,2-6H2,1H3,(H,14,19)(H,15,16,17,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 97184159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).