4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide

C18H25N5OS — CID 46976464

IUPAC4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCC(C)CC2)ncc1C(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C18H25N5OS/c1-11(2)15-10-25-18(21-15)22-16(24)14-9-19-17(20-13(14)4)23-7-5-12(3)6-8-23/h9-12H,5-8H2,1-4H3,(H,21,22,24)
InChIKeyKDLQFONQTJVYEG-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.85
Rot. Bonds4

About 4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide

4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide (PubChem CID 46976464) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide
PubChem CID46976464
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCC(C)CC2)ncc1C(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C18H25N5OS/c1-11(2)15-10-25-18(21-15)22-16(24)14-9-19-17(20-13(14)4)23-7-5-12(3)6-8-23/h9-12H,5-8H2,1-4H3,(H,21,22,24)
InChIKeyKDLQFONQTJVYEG-UHFFFAOYSA-N
XLogP3.85
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 56802180
(4-Ethylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 56819270
(4-Propan-2-ylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 56819271
(4-Ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819383
2,4-dimethyl-N-(6-(4-methylpiperidin-1-yl)pyrimidin-4-yl)thiazole-5-carboxamide
CID 71795040
2-(dimethylamino)-4-methyl-N-{2-[2-(2-pyrazinyl)-1,3-thiazol-4-yl]ethyl}-5-pyrimidinecarboxamide
CID 72840148
1-(4-Methyl-2-{[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]amino}pyrimidin-5-yl)ethanone
CID 72857560
(4-Methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 118740400
1-(2-{[3-(2-Amino-1,3-thiazol-4-YL)propyl]amino}-4-methylpyrimidin-5-YL)ethanone
CID 72933882
2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
CID 126788028
(2-cyclopropyl-4-methylpyrimidin-5-yl)-[(1R,5S)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 164641348
2-Amino-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-YL)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 77088476

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide (CID 46976464) is 4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide is Cc1nc(N2CCC(C)CC2)ncc1C(=O)Nc1nc(C(C)C)cs1.
What is the InChIKey of 4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The InChIKey is KDLQFONQTJVYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-11(2)15-10-25-18(21-15)22-16(24)14-9-19-17(20-13(14)4)23-7-5-12(3)6-8-23/h9-12H,5-8H2,1-4H3,(H,21,22,24).
What are the key properties of 4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 46976464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).