N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide

C13H17N5OS — CID 124841571

IUPACN-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESC[C@@H](NC(=O)CCc1cccs1)c1nnnn1C1CC1
InChIInChI=1S/C13H17N5OS/c1-9(13-15-16-17-18(13)10-4-5-10)14-12(19)7-6-11-3-2-8-20-11/h2-3,8-10H,4-7H2,1H3,(H,14,19)/t9-/m1/s1
InChIKeyASYJDLADMDLESL-SECBINFHSA-N
MW291.38 g/mol
LogP1.88
Rot. Bonds6

About N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide

N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 124841571) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID124841571
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESC[C@@H](NC(=O)CCc1cccs1)c1nnnn1C1CC1
InChIInChI=1S/C13H17N5OS/c1-9(13-15-16-17-18(13)10-4-5-10)14-12(19)7-6-11-3-2-8-20-11/h2-3,8-10H,4-7H2,1H3,(H,14,19)/t9-/m1/s1
InChIKeyASYJDLADMDLESL-SECBINFHSA-N
XLogP1.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide
CID 124730810
N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 122160147
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide
CID 31404594
N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide
CID 86807912
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228
1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 126780318
N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 129478459
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46588445
(2S)-4-methyl-2-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 61155171
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959
3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea
CID 124730383
1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-[(1R)-1-(2,3-difluorophenyl)ethyl]urea
CID 99828922

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide (CID 124841571) is N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide is C[C@@H](NC(=O)CCc1cccs1)c1nnnn1C1CC1.
What is the InChIKey of N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is ASYJDLADMDLESL-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9(13-15-16-17-18(13)10-4-5-10)14-12(19)7-6-11-3-2-8-20-11/h2-3,8-10H,4-7H2,1H3,(H,14,19)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 291.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 124841571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).