4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid

C13H10N4O2S — CID 62406409

IUPAC4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(NCc2nccs2)c2ccccc2n1
InChIInChI=1S/C13H10N4O2S/c18-13(19)12-16-9-4-2-1-3-8(9)11(17-12)15-7-10-14-5-6-20-10/h1-6H,7H2,(H,18,19)(H,15,16,17)
InChIKeyQTBGIAVZRCQJLY-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.40
Rot. Bonds4

About 4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid

4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid (PubChem CID 62406409) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid
PubChem CID62406409
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(NCc2nccs2)c2ccccc2n1
InChIInChI=1S/C13H10N4O2S/c18-13(19)12-16-9-4-2-1-3-8(9)11(17-12)15-7-10-14-5-6-20-10/h1-6H,7H2,(H,18,19)(H,15,16,17)
InChIKeyQTBGIAVZRCQJLY-UHFFFAOYSA-N
XLogP2.40
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-thiazol-2-ylmethylamino)isoquinoline-4-carboxylic acid
CID 106766776
4-(2,2-dimethylpropylamino)quinazoline-2-carboxylic acid
CID 63867718
4-[(5-bromothiophen-2-yl)methylamino]quinazoline-2-carboxylic acid
CID 62405169
2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine
CID 61283485
2-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231705
4-(methylamino)quinazoline-2-carboxylic acid
CID 63867097
4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid
CID 107853406
3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 62709979
4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
CID 63869094
4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid
CID 104762210
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799
4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid
CID 106136485

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid?
The IUPAC name of 4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid (CID 62406409) is 4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid?
The canonical SMILES for 4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid is O=C(O)c1nc(NCc2nccs2)c2ccccc2n1.
What is the InChIKey of 4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid?
The InChIKey is QTBGIAVZRCQJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-13(19)12-16-9-4-2-1-3-8(9)11(17-12)15-7-10-14-5-6-20-10/h1-6H,7H2,(H,18,19)(H,15,16,17).
What are the key properties of 4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid?
4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid has a molecular weight of 286.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid is sourced from PubChem (CID 62406409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).