2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide

C12H15ClN6OS — CID 88917321

IUPAC2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(Cl)nc(Nc2ncc(C(=O)NC(C)C)s2)n1
InChIInChI=1S/C12H15ClN6OS/c1-4-8-16-10(13)18-11(17-8)19-12-14-5-7(21-12)9(20)15-6(2)3/h5-6H,4H2,1-3H3,(H,15,20)(H,14,16,17,18,19)
InChIKeyKPVXLLXLFVJWOL-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.43
Rot. Bonds5

About 2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide

2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 88917321) has the molecular formula C12H15ClN6OS and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID88917321
Molecular FormulaC12H15ClN6OS
Molecular Weight326.81 g/mol
Exact Mass326.07
IUPAC Name2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(Cl)nc(Nc2ncc(C(=O)NC(C)C)s2)n1
InChIInChI=1S/C12H15ClN6OS/c1-4-8-16-10(13)18-11(17-8)19-12-14-5-7(21-12)9(20)15-6(2)3/h5-6H,4H2,1-3H3,(H,15,20)(H,14,16,17,18,19)
InChIKeyKPVXLLXLFVJWOL-UHFFFAOYSA-N
XLogP2.43
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 88917321) is 2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(Cl)nc(Nc2ncc(C(=O)NC(C)C)s2)n1.
What is the InChIKey of 2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KPVXLLXLFVJWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6OS/c1-4-8-16-10(13)18-11(17-8)19-12-14-5-7(21-12)9(20)15-6(2)3/h5-6H,4H2,1-3H3,(H,15,20)(H,14,16,17,18,19).
What are the key properties of 2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 326.81 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 88917321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).