N-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide

C14H19N5O2S — CID 166313425

IUPACN-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NC(c1nn[nH]n1)C1CCCC1
InChIInChI=1S/C14H19N5O2S/c1-8-7-10(21-2)12(22-8)14(20)15-11(9-5-3-4-6-9)13-16-18-19-17-13/h7,9,11H,3-6H2,1-2H3,(H,15,20)(H,16,17,18,19)
InChIKeyRVIULAZKOFJRBA-UHFFFAOYSA-N
MW321.41 g/mol
LogP2.24
Rot. Bonds5

About N-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide

N-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide (PubChem CID 166313425) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
PubChem CID166313425
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NC(c1nn[nH]n1)C1CCCC1
InChIInChI=1S/C14H19N5O2S/c1-8-7-10(21-2)12(22-8)14(20)15-11(9-5-3-4-6-9)13-16-18-19-17-13/h7,9,11H,3-6H2,1-2H3,(H,15,20)(H,16,17,18,19)
InChIKeyRVIULAZKOFJRBA-UHFFFAOYSA-N
XLogP2.24
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide (CID 166313425) is N-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide is COc1cc(C)sc1C(=O)NC(c1nn[nH]n1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The InChIKey is RVIULAZKOFJRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-8-7-10(21-2)12(22-8)14(20)15-11(9-5-3-4-6-9)13-16-18-19-17-13/h7,9,11H,3-6H2,1-2H3,(H,15,20)(H,16,17,18,19).
What are the key properties of N-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
N-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 166313425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).