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

C11H13N5OS — CID 138035437

IUPACN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide
SMILESCc1ncc(CNC(=O)Cc2cscn2)c(N)n1
InChIInChI=1S/C11H13N5OS/c1-7-13-3-8(11(12)16-7)4-14-10(17)2-9-5-18-6-15-9/h3,5-6H,2,4H2,1H3,(H,14,17)(H2,12,13,16)
InChIKeyXDULIQDLWUAZHY-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.68
Rot. Bonds4

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

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide (PubChem CID 138035437) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide
PubChem CID138035437
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide
SMILESCc1ncc(CNC(=O)Cc2cscn2)c(N)n1
InChIInChI=1S/C11H13N5OS/c1-7-13-3-8(11(12)16-7)4-14-10(17)2-9-5-18-6-15-9/h3,5-6H,2,4H2,1H3,(H,14,17)(H2,12,13,16)
InChIKeyXDULIQDLWUAZHY-UHFFFAOYSA-N
XLogP0.68
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(1,3-thiazol-4-yl)acetamide
CID 110462780
2-(1,3-thiazol-4-yl)acetohydrazide
CID 53297918
N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110472606
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 138036903
N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110483325
2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 155969654
(2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid
CID 26792673
(4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 138034187
N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide
CID 110679397
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
2-(1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 54326383
2-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346575

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide (CID 138035437) is N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide is Cc1ncc(CNC(=O)Cc2cscn2)c(N)n1.
What is the InChIKey of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide?
The InChIKey is XDULIQDLWUAZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-7-13-3-8(11(12)16-7)4-14-10(17)2-9-5-18-6-15-9/h3,5-6H,2,4H2,1H3,(H,14,17)(H2,12,13,16).
What are the key properties of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide?
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide has a molecular weight of 263.33 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 138035437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).