6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide

C17H20F3N5OS — CID 168879400

IUPAC6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(NCC(F)(F)F)CC2)nc(-c2cncs2)n1
InChIInChI=1S/C17H20F3N5OS/c1-10-6-13(25-15(23-10)14-7-21-9-27-14)16(26)24-12-4-2-11(3-5-12)22-8-17(18,19)20/h6-7,9,11-12,22H,2-5,8H2,1H3,(H,24,26)
InChIKeyKTXGUICXXUQFSO-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.10
Rot. Bonds5

About 6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide

6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide (PubChem CID 168879400) has the molecular formula C17H20F3N5OS and a molecular weight of 399.44 g/mol. Its IUPAC name is 6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide
PubChem CID168879400
Molecular FormulaC17H20F3N5OS
Molecular Weight399.44 g/mol
Exact Mass399.13
IUPAC Name6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(NCC(F)(F)F)CC2)nc(-c2cncs2)n1
InChIInChI=1S/C17H20F3N5OS/c1-10-6-13(25-15(23-10)14-7-21-9-27-14)16(26)24-12-4-2-11(3-5-12)22-8-17(18,19)20/h6-7,9,11-12,22H,2-5,8H2,1H3,(H,24,26)
InChIKeyKTXGUICXXUQFSO-UHFFFAOYSA-N
XLogP3.10
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide (CID 168879400) is 6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCC(NCC(F)(F)F)CC2)nc(-c2cncs2)n1.
What is the InChIKey of 6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide?
The InChIKey is KTXGUICXXUQFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5OS/c1-10-6-13(25-15(23-10)14-7-21-9-27-14)16(26)24-12-4-2-11(3-5-12)22-8-17(18,19)20/h6-7,9,11-12,22H,2-5,8H2,1H3,(H,24,26).
What are the key properties of 6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide?
6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,3-thiazol-5-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 168879400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).