N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide

C16H22N4OS — CID 56869292

IUPACN,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)N(C)CCc1scnc1C
InChIInChI=1S/C16H22N4OS/c1-10(2)15-17-8-13(11(3)19-15)16(21)20(5)7-6-14-12(4)18-9-22-14/h8-10H,6-7H2,1-5H3
InChIKeyWANAALBUZXXXSJ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.99
Rot. Bonds5

About N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide

N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 56869292) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID56869292
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)N(C)CCc1scnc1C
InChIInChI=1S/C16H22N4OS/c1-10(2)15-17-8-13(11(3)19-15)16(21)20(5)7-6-14-12(4)18-9-22-14/h8-10H,6-7H2,1-5H3
InChIKeyWANAALBUZXXXSJ-UHFFFAOYSA-N
XLogP2.99
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 145991198
[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
(4-Methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 118740400
6-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-2-isobutyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56750537
4-ethyl-2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-5-carboxamide
CID 72003744
N,4,6-Trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidine-5-carboxamide
CID 124210068
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 N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide (CID 56869292) is N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide is Cc1nc(C(C)C)ncc1C(=O)N(C)CCc1scnc1C.
What is the InChIKey of N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is WANAALBUZXXXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10(2)15-17-8-13(11(3)19-15)16(21)20(5)7-6-14-12(4)18-9-22-14/h8-10H,6-7H2,1-5H3.
What are the key properties of N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide?
N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 56869292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).