2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide

C10H17N3OS2 — CID 162393170

IUPAC2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide
SMILESCSC(Cc1ncc(C(N)=O)s1)CC(C)N
InChIInChI=1S/C10H17N3OS2/c1-6(11)3-7(15-2)4-9-13-5-8(16-9)10(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)
InChIKeyYNQCUPYTYVNDKW-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.25
Rot. Bonds6

About 2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide

2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide (PubChem CID 162393170) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide
PubChem CID162393170
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide
SMILESCSC(Cc1ncc(C(N)=O)s1)CC(C)N
InChIInChI=1S/C10H17N3OS2/c1-6(11)3-7(15-2)4-9-13-5-8(16-9)10(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)
InChIKeyYNQCUPYTYVNDKW-UHFFFAOYSA-N
XLogP1.25
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide (CID 162393170) is 2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide is CSC(Cc1ncc(C(N)=O)s1)CC(C)N.
What is the InChIKey of 2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YNQCUPYTYVNDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-6(11)3-7(15-2)4-9-13-5-8(16-9)10(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14).
What are the key properties of 2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide?
2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide has a molecular weight of 259.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylsulfanylpentyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162393170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).