2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid

C15H13N5O2S — CID 141349337

IUPAC2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2cc(NCc3ccccc3)ncn2)s1
InChIInChI=1S/C15H13N5O2S/c21-14(22)11-8-17-15(23-11)20-13-6-12(18-9-19-13)16-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,21,22)(H2,16,17,18,19,20)
InChIKeyHKYRYAFZFVCXNC-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.99
Rot. Bonds6

About 2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid

2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 141349337) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID141349337
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2cc(NCc3ccccc3)ncn2)s1
InChIInChI=1S/C15H13N5O2S/c21-14(22)11-8-17-15(23-11)20-13-6-12(18-9-19-13)16-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,21,22)(H2,16,17,18,19,20)
InChIKeyHKYRYAFZFVCXNC-UHFFFAOYSA-N
XLogP2.99
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-fluorophenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571876
ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
CID 141349333
2-(3-phenylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80572360
2-[(3-cyanophenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571600
4-N-benzylpyrimidine-4,6-diamine
CID 3031503
2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 87641079
6-N-benzyl-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858793
2-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571494
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 141147103
2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid
CID 87396018
6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112858876
2-(2,6-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571332

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid (CID 141349337) is 2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(Nc2cc(NCc3ccccc3)ncn2)s1.
What is the InChIKey of 2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is HKYRYAFZFVCXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c21-14(22)11-8-17-15(23-11)20-13-6-12(18-9-19-13)16-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,21,22)(H2,16,17,18,19,20).
What are the key properties of 2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 327.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 141349337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).