N-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide

C13H18N6OS — CID 56818457

IUPACN-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(Cn2nnnc2C2CCCC2)cs1
InChIInChI=1S/C13H18N6OS/c1-9(20)18(2)13-14-11(8-21-13)7-19-12(15-16-17-19)10-5-3-4-6-10/h8,10H,3-7H2,1-2H3
InChIKeyYJQIVWCNJMCXSU-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.82
Rot. Bonds4

About N-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide

N-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 56818457) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is N-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID56818457
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC NameN-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(Cn2nnnc2C2CCCC2)cs1
InChIInChI=1S/C13H18N6OS/c1-9(20)18(2)13-14-11(8-21-13)7-19-12(15-16-17-19)10-5-3-4-6-10/h8,10H,3-7H2,1-2H3
InChIKeyYJQIVWCNJMCXSU-UHFFFAOYSA-N
XLogP1.82
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of N-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide (CID 56818457) is N-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide is CC(=O)N(C)c1nc(Cn2nnnc2C2CCCC2)cs1.
What is the InChIKey of N-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is YJQIVWCNJMCXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-9(20)18(2)13-14-11(8-21-13)7-19-12(15-16-17-19)10-5-3-4-6-10/h8,10H,3-7H2,1-2H3.
What are the key properties of N-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
N-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 306.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-cyclopentyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 56818457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).