N-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide

C13H19N5OS — CID 166311677

IUPACN-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccsc1C(=O)NC(c1nn[nH]n1)C(C)C
InChIInChI=1S/C13H19N5OS/c1-7(2)9-5-6-20-11(9)13(19)14-10(8(3)4)12-15-17-18-16-12/h5-8,10H,1-4H3,(H,14,19)(H,15,16,17,18)
InChIKeyBLPROTMDMFIKAJ-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.51
Rot. Bonds5

About N-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide

N-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide (PubChem CID 166311677) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide
PubChem CID166311677
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccsc1C(=O)NC(c1nn[nH]n1)C(C)C
InChIInChI=1S/C13H19N5OS/c1-7(2)9-5-6-20-11(9)13(19)14-10(8(3)4)12-15-17-18-16-12/h5-8,10H,1-4H3,(H,14,19)(H,15,16,17,18)
InChIKeyBLPROTMDMFIKAJ-UHFFFAOYSA-N
XLogP2.51
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 97184159
[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 164642200
N-[(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 53540738
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
5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide
CID 154844315
5-[1-[3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylbutyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-carboxamide
CID 159841769
N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide
CID 71849693
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-(2H-tetrazol-5-yl)benzamide
CID 72041171
N-(2H-tetrazol-5-ylmethyl)thiophene-2-carboxamide
CID 61856746
N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]thiophene-3-carboxamide
CID 89641157

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide (CID 166311677) is N-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide is CC(C)c1ccsc1C(=O)NC(c1nn[nH]n1)C(C)C.
What is the InChIKey of N-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide?
The InChIKey is BLPROTMDMFIKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-7(2)9-5-6-20-11(9)13(19)14-10(8(3)4)12-15-17-18-16-12/h5-8,10H,1-4H3,(H,14,19)(H,15,16,17,18).
What are the key properties of N-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide?
N-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 166311677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).