3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide

C14H18N4OS — CID 154797839

IUPAC3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1nccc(CCC(=O)Nc2nc(C(C)C)cs2)n1
InChIInChI=1S/C14H18N4OS/c1-9(2)12-8-20-14(17-12)18-13(19)5-4-11-6-7-15-10(3)16-11/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyZSEKYJLENDLLFH-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.94
Rot. Bonds5

About 3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide

3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 154797839) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID154797839
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1nccc(CCC(=O)Nc2nc(C(C)C)cs2)n1
InChIInChI=1S/C14H18N4OS/c1-9(2)12-8-20-14(17-12)18-13(19)5-4-11-6-7-15-10(3)16-11/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyZSEKYJLENDLLFH-UHFFFAOYSA-N
XLogP2.94
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 691775
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)butanamide
CID 16487936
1-(6-cyclopropylpyrimidin-4-yl)-N-(4-methylthiazol-2-yl)piperidine-4-carboxamide
CID 76146825
1-[3-[2-(1,3-Thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone
CID 118739882
3-((4,6-dimethylpyrimidin-2-yl)amino)-N-(thiazol-2-yl)propanamide
CID 71702074
4-cyclopropyl-N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
CID 128236021
1-[4-[5-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 144204972
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 42960957
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 2945302
3-(4-Methyl-1,3-thiazol-5-YL)-N-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-YL]methyl}propanamide
CID 50975222
3-(4-methyl-1,3-thiazol-5-yl)-N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}propanamide
CID 70747348
3-Pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one
CID 126776405

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide (CID 154797839) is 3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide is Cc1nccc(CCC(=O)Nc2nc(C(C)C)cs2)n1.
What is the InChIKey of 3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is ZSEKYJLENDLLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9(2)12-8-20-14(17-12)18-13(19)5-4-11-6-7-15-10(3)16-11/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 290.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 154797839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).