2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C12H15N5OS — CID 71710289

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)nc(NCC(=O)Nc2ncc(C)s2)n1
InChIInChI=1S/C12H15N5OS/c1-7-4-8(2)16-11(15-7)13-6-10(18)17-12-14-5-9(3)19-12/h4-5H,6H2,1-3H3,(H,13,15,16)(H,14,17,18)
InChIKeyNSSUFTLZVKVRIF-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.91
Rot. Bonds4

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 71710289) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID71710289
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)nc(NCC(=O)Nc2ncc(C)s2)n1
InChIInChI=1S/C12H15N5OS/c1-7-4-8(2)16-11(15-7)13-6-10(18)17-12-14-5-9(3)19-12/h4-5H,6H2,1-3H3,(H,13,15,16)(H,14,17,18)
InChIKeyNSSUFTLZVKVRIF-UHFFFAOYSA-N
XLogP1.91
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.91
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
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-N-(5-nitro-thiazol-2-yl)-acetamide
CID 592835
1-(3-((4-Methylpyrimidin-2-yl)thio)propyl)-3-(thiazol-2-yl)urea
CID 18584298
3-((4,6-dimethylpyrimidin-2-yl)amino)-N-(thiazol-2-yl)propanamide
CID 71702074
3-[(4,6-Dimethylpyrimidin-2-YL)amino]-N-[2-(1,3-thiazol-2-YL)ethyl]propanamide
CID 91901469
N-[5-[[4-[2-(6-methylpyrimidin-4-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377633
N-[5-[[4-[2-[6-(trifluoromethyl)pyrimidin-4-yl]ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377643
4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-ylthio]-N-(1,3-thiazol-2-yl)butanam ide
CID 16443274
N-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35293154

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 71710289) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cc(C)nc(NCC(=O)Nc2ncc(C)s2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NSSUFTLZVKVRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-7-4-8(2)16-11(15-7)13-6-10(18)17-12-14-5-9(3)19-12/h4-5H,6H2,1-3H3,(H,13,15,16)(H,14,17,18).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 277.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71710289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).