N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide

C13H19N7OS — CID 124843924

IUPACN-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2cccs2)CC1)c1nnnn1C
InChIInChI=1S/C13H19N7OS/c1-10(12-15-16-17-18(12)2)14-13(21)20-7-5-19(6-8-20)11-4-3-9-22-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,21)/t10-/m0/s1
InChIKeyFKKYREQCBDIHLU-JTQLQIEISA-N
MW321.41 g/mol
LogP0.86
Rot. Bonds3

About N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide

N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 124843924) has the molecular formula C13H19N7OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID124843924
Molecular FormulaC13H19N7OS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC NameN-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2cccs2)CC1)c1nnnn1C
InChIInChI=1S/C13H19N7OS/c1-10(12-15-16-17-18(12)2)14-13(21)20-7-5-19(6-8-20)11-4-3-9-22-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,21)/t10-/m0/s1
InChIKeyFKKYREQCBDIHLU-JTQLQIEISA-N
XLogP0.86
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 124843892
N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide
CID 97073669
N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 124847088
4-cyclobutyloxy-N-[1-(1-methyltetrazol-5-yl)ethyl]piperidine-1-carboxamide
CID 138049854
N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 138049856
N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide
CID 97088860
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-3-[(1R)-1-(1-phenylcyclopentyl)ethyl]urea
CID 100703457
4-[(4-thiophen-2-ylpiperazine-1-carbonyl)amino]butanoic acid
CID 122022218
3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide
CID 129433441
(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 119894758
N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126429294

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide (CID 124843924) is N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide is C[C@H](NC(=O)N1CCN(c2cccs2)CC1)c1nnnn1C.
What is the InChIKey of N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is FKKYREQCBDIHLU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N7OS/c1-10(12-15-16-17-18(12)2)14-13(21)20-7-5-19(6-8-20)11-4-3-9-22-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,21)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide?
N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 124843924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).