3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide

C14H19N5OS — CID 91901469

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1cc(C)nc(NCCC(=O)NCCc2nccs2)n1
InChIInChI=1S/C14H19N5OS/c1-10-9-11(2)19-14(18-10)17-5-3-12(20)15-6-4-13-16-7-8-21-13/h7-9H,3-6H2,1-2H3,(H,15,20)(H,17,18,19)
InChIKeyWTDUIGCWUUNKCU-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.71
Rot. Bonds7

About 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide

3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 91901469) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID91901469
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1cc(C)nc(NCCC(=O)NCCc2nccs2)n1
InChIInChI=1S/C14H19N5OS/c1-10-9-11(2)19-14(18-10)17-5-3-12(20)15-6-4-13-16-7-8-21-13/h7-9H,3-6H2,1-2H3,(H,15,20)(H,17,18,19)
InChIKeyWTDUIGCWUUNKCU-UHFFFAOYSA-N
XLogP1.71
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-YL]sulfanyl}-N-(1,3-thiazol-2-YL)acetamide
CID 1255929
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 47110332
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 53576345
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
CID 72006788
1-[3-[2-(1,3-Thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone
CID 118739882
1-(3-((4-Methylpyrimidin-2-yl)thio)propyl)-3-(thiazol-2-yl)urea
CID 18584298
1-(3-((4,6-Dimethylpyrimidin-2-yl)thio)propyl)-3-(thiazol-2-yl)urea
CID 18584299
2-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazol-4-yl)-N-ethylacetamide
CID 49670866
3-((4,6-dimethylpyrimidin-2-yl)amino)-N-(thiazol-2-yl)propanamide
CID 71702074
2-((4,6-dimethylpyrimidin-2-yl)amino)-N-(5-methylthiazol-2-yl)acetamide
CID 71710289

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide (CID 91901469) is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide is Cc1cc(C)nc(NCCC(=O)NCCc2nccs2)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is WTDUIGCWUUNKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10-9-11(2)19-14(18-10)17-5-3-12(20)15-6-4-13-16-7-8-21-13/h7-9H,3-6H2,1-2H3,(H,15,20)(H,17,18,19).
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 305.41 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 91901469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).