N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

C21H27F3N6O2S — CID 134364198

IUPACN-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C)C(=O)N2CCC(CCc3c(C)nc(C(F)(F)F)nc3N)CC2)cs1
InChIInChI=1S/C21H27F3N6O2S/c1-11-15(17(25)29-20(27-11)21(22,23)24)5-4-14-6-8-30(9-7-14)19(32)12(2)26-18(31)16-10-33-13(3)28-16/h10,12,14H,4-9H2,1-3H3,(H,26,31)(H2,25,27,29)
InChIKeyRMDOPOPYZPJKOK-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.14
Rot. Bonds6

About N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 134364198) has the molecular formula C21H27F3N6O2S and a molecular weight of 484.55 g/mol. Its IUPAC name is N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID134364198
Molecular FormulaC21H27F3N6O2S
Molecular Weight484.55 g/mol
Exact Mass484.19
IUPAC NameN-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C)C(=O)N2CCC(CCc3c(C)nc(C(F)(F)F)nc3N)CC2)cs1
InChIInChI=1S/C21H27F3N6O2S/c1-11-15(17(25)29-20(27-11)21(22,23)24)5-4-14-6-8-30(9-7-14)19(32)12(2)26-18(31)16-10-33-13(3)28-16/h10,12,14H,4-9H2,1-3H3,(H,26,31)(H2,25,27,29)
InChIKeyRMDOPOPYZPJKOK-UHFFFAOYSA-N
XLogP3.14
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 134364198) is N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC(C)C(=O)N2CCC(CCc3c(C)nc(C(F)(F)F)nc3N)CC2)cs1.
What is the InChIKey of N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is RMDOPOPYZPJKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N6O2S/c1-11-15(17(25)29-20(27-11)21(22,23)24)5-4-14-6-8-30(9-7-14)19(32)12(2)26-18(31)16-10-33-13(3)28-16/h10,12,14H,4-9H2,1-3H3,(H,26,31)(H2,25,27,29).
What are the key properties of N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134364198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).