N,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide

C12H15N5OS — CID 50948058

IUPACN,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCNc1ncc(CN(C)C(=O)c2csc(C)n2)cn1
InChIInChI=1S/C12H15N5OS/c1-8-16-10(7-19-8)11(18)17(3)6-9-4-14-12(13-2)15-5-9/h4-5,7H,6H2,1-3H3,(H,13,14,15)
InChIKeyNQADAUYBOIMPLM-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.56
Rot. Bonds4

About N,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide

N,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 50948058) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID50948058
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCNc1ncc(CN(C)C(=O)c2csc(C)n2)cn1
InChIInChI=1S/C12H15N5OS/c1-8-16-10(7-19-8)11(18)17(3)6-9-4-14-12(13-2)15-5-9/h4-5,7H,6H2,1-3H3,(H,13,14,15)
InChIKeyNQADAUYBOIMPLM-UHFFFAOYSA-N
XLogP1.56
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide (CID 50948058) is N,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide is CNc1ncc(CN(C)C(=O)c2csc(C)n2)cn1.
What is the InChIKey of N,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NQADAUYBOIMPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-8-16-10(7-19-8)11(18)17(3)6-9-4-14-12(13-2)15-5-9/h4-5,7H,6H2,1-3H3,(H,13,14,15).
What are the key properties of N,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide?
N,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50948058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).