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

C15H20N4OS2 — CID 119735188

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

3-amino-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 119735188) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 3-amino-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
• PubChem CID: 119735188
• Molecular Formula: C15H20N4OS2
• Molecular Weight: 336.49 g/mol
• Exact Mass: 336.11
• IUPAC Name: 3-amino-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
• SMILES: Cc1nc(C)c(-c2csc(NC(=O)C3CCCC(N)C3)n2)s1
• InChI: InChI=1S/C15H20N4OS2/c1-8-13(22-9(2)17-8)12-7-21-15(18-12)19-14(20)10-4-3-5-11(16)6-10/h7,10-11H,3-6,16H2,1-2H3,(H,18,19,20)
• InChIKey: RDSPHGWWLFELJR-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 80.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.49
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?

The IUPAC name of 3-amino-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (CID 119735188) is 3-amino-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.

What is the SMILES notation for 3-amino-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?

The canonical SMILES for 3-amino-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is Cc1nc(C)c(-c2csc(NC(=O)C3CCCC(N)C3)n2)s1.

What is the InChIKey of 3-amino-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?

The InChIKey is RDSPHGWWLFELJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-8-13(22-9(2)17-8)12-7-21-15(18-12)19-14(20)10-4-3-5-11(16)6-10/h7,10-11H,3-6,16H2,1-2H3,(H,18,19,20).

What are the key properties of 3-amino-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?

3-amino-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide has a molecular weight of 336.49 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119735188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).