N-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide

C12H17N5OS — CID 71920434

IUPACN-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide
SMILESCCCC(NC(=O)C(C)c1cccs1)c1nn[nH]n1
InChIInChI=1S/C12H17N5OS/c1-3-5-9(11-14-16-17-15-11)13-12(18)8(2)10-6-4-7-19-10/h4,6-9H,3,5H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyPBGCRSQOEJXAAQ-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.02
Rot. Bonds6

About N-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide

N-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide (PubChem CID 71920434) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide
PubChem CID71920434
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide
SMILESCCCC(NC(=O)C(C)c1cccs1)c1nn[nH]n1
InChIInChI=1S/C12H17N5OS/c1-3-5-9(11-14-16-17-15-11)13-12(18)8(2)10-6-4-7-19-10/h4,6-9H,3,5H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyPBGCRSQOEJXAAQ-UHFFFAOYSA-N
XLogP2.02
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide (CID 71920434) is N-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide is CCCC(NC(=O)C(C)c1cccs1)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide?
The InChIKey is PBGCRSQOEJXAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-3-5-9(11-14-16-17-15-11)13-12(18)8(2)10-6-4-7-19-10/h4,6-9H,3,5H2,1-2H3,(H,13,18)(H,14,15,16,17).
What are the key properties of N-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide?
N-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide has a molecular weight of 279.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 71920434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).