4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide

C13H21N3OS — CID 64539327

IUPAC4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide
SMILESCc1nc(C)c(CNC2CCC(C(N)=O)CC2)s1
InChIInChI=1S/C13H21N3OS/c1-8-12(18-9(2)16-8)7-15-11-5-3-10(4-6-11)13(14)17/h10-11,15H,3-7H2,1-2H3,(H2,14,17)
InChIKeyDLDUAAOEXLBAHS-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.89
Rot. Bonds4

About 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide

4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide (PubChem CID 64539327) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide
PubChem CID64539327
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide
SMILESCc1nc(C)c(CNC2CCC(C(N)=O)CC2)s1
InChIInChI=1S/C13H21N3OS/c1-8-12(18-9(2)16-8)7-15-11-5-3-10(4-6-11)13(14)17/h10-11,15H,3-7H2,1-2H3,(H2,14,17)
InChIKeyDLDUAAOEXLBAHS-UHFFFAOYSA-N
XLogP1.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide (CID 64539327) is 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide is Cc1nc(C)c(CNC2CCC(C(N)=O)CC2)s1.
What is the InChIKey of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide?
The InChIKey is DLDUAAOEXLBAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8-12(18-9(2)16-8)7-15-11-5-3-10(4-6-11)13(14)17/h10-11,15H,3-7H2,1-2H3,(H2,14,17).
What are the key properties of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide?
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 64539327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).