4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine

C13H13N5S — CID 80807558

IUPAC4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine
SMILESCc1csc(CNc2nc(N)nc3ccccc23)n1
InChIInChI=1S/C13H13N5S/c1-8-7-19-11(16-8)6-15-12-9-4-2-3-5-10(9)17-13(14)18-12/h2-5,7H,6H2,1H3,(H3,14,15,17,18)
InChIKeyOEFIMDOYALLWNW-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.59
Rot. Bonds3

About 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine

4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine (PubChem CID 80807558) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine
PubChem CID80807558
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine
SMILESCc1csc(CNc2nc(N)nc3ccccc23)n1
InChIInChI=1S/C13H13N5S/c1-8-7-19-11(16-8)6-15-12-9-4-2-3-5-10(9)17-13(14)18-12/h2-5,7H,6H2,1H3,(H3,14,15,17,18)
InChIKeyOEFIMDOYALLWNW-UHFFFAOYSA-N
XLogP2.59
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
2-hydrazinyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]quinazolin-4-amine
CID 80907701
4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine
CID 80813250
2-[(4-methyl-1,3-thiazol-2-yl)methylamino]quinoline-4-carbothioamide
CID 63886101
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]isoquinoline-4-carboxylic acid
CID 106766779
6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine
CID 114784347
4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 80773541
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327647
6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80896903
4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831388
2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80807969
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine (CID 80807558) is 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine is Cc1csc(CNc2nc(N)nc3ccccc23)n1.
What is the InChIKey of 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine?
The InChIKey is OEFIMDOYALLWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-8-7-19-11(16-8)6-15-12-9-4-2-3-5-10(9)17-13(14)18-12/h2-5,7H,6H2,1H3,(H3,14,15,17,18).
What are the key properties of 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine?
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine has a molecular weight of 271.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 80807558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).