4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine

C13H13N5S — CID 80814608

IUPAC4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine
SMILESCN(Cc1cscn1)c1nc(N)nc2ccccc12
InChIInChI=1S/C13H13N5S/c1-18(6-9-7-19-8-15-9)12-10-4-2-3-5-11(10)16-13(14)17-12/h2-5,7-8H,6H2,1H3,(H2,14,16,17)
InChIKeyHTEDMXHELMGOOB-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.30
Rot. Bonds3

About 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine

4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine (PubChem CID 80814608) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine
PubChem CID80814608
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine
SMILESCN(Cc1cscn1)c1nc(N)nc2ccccc12
InChIInChI=1S/C13H13N5S/c1-18(6-9-7-19-8-15-9)12-10-4-2-3-5-11(10)16-13(14)17-12/h2-5,7-8H,6H2,1H3,(H2,14,16,17)
InChIKeyHTEDMXHELMGOOB-UHFFFAOYSA-N
XLogP2.30
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol
CID 80773437
4-(chloromethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)isoquinolin-1-amine
CID 106769123
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine
CID 80796340
5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 114406127
6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80814611
5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine
CID 55013762
6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine
CID 79825816
4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 80763753
4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine
CID 80793845
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3-diamine
CID 66278220
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63076116

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine (CID 80814608) is 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine is CN(Cc1cscn1)c1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is HTEDMXHELMGOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-18(6-9-7-19-8-15-9)12-10-4-2-3-5-11(10)16-13(14)17-12/h2-5,7-8H,6H2,1H3,(H2,14,16,17).
What are the key properties of 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine?
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 271.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80814608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).