4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide

C11H17N3OS — CID 61044116

IUPAC4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide
SMILESCc1csc(NC2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C11H17N3OS/c1-7-6-16-11(13-7)14-9-4-2-8(3-5-9)10(12)15/h6,8-9H,2-5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyPGFZDUDATJJBSY-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.91
Rot. Bonds3

About 4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide

4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide (PubChem CID 61044116) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide
PubChem CID61044116
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide
SMILESCc1csc(NC2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C11H17N3OS/c1-7-6-16-11(13-7)14-9-4-2-8(3-5-9)10(12)15/h6,8-9H,2-5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyPGFZDUDATJJBSY-UHFFFAOYSA-N
XLogP1.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide (CID 61044116) is 4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide is Cc1csc(NC2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is PGFZDUDATJJBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-6-16-11(13-7)14-9-4-2-8(3-5-9)10(12)15/h6,8-9H,2-5H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide?
4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 61044116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).