N-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide

C16H15N5OS — CID 136517401

IUPACN-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide
SMILESCN(C)c1ncc(NC(=O)c2nc(-c3ccccc3)cs2)cn1
InChIInChI=1S/C16H15N5OS/c1-21(2)16-17-8-12(9-18-16)19-14(22)15-20-13(10-23-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,22)
InChIKeyCHLJTVACRXZDFR-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.92
Rot. Bonds4

About N-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide

N-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide (PubChem CID 136517401) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide
PubChem CID136517401
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC NameN-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide
SMILESCN(C)c1ncc(NC(=O)c2nc(-c3ccccc3)cs2)cn1
InChIInChI=1S/C16H15N5OS/c1-21(2)16-17-8-12(9-18-16)19-14(22)15-20-13(10-23-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,22)
InChIKeyCHLJTVACRXZDFR-UHFFFAOYSA-N
XLogP2.92
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide (CID 136517401) is N-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide is CN(C)c1ncc(NC(=O)c2nc(-c3ccccc3)cs2)cn1.
What is the InChIKey of N-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide?
The InChIKey is CHLJTVACRXZDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-21(2)16-17-8-12(9-18-16)19-14(22)15-20-13(10-23-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide?
N-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 136517401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).