N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine

C13H11ClN4S — CID 142254122

IUPACN'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine
SMILESNCNc1nc(-c2cccs2)c2cc(Cl)ccc2n1
InChIInChI=1S/C13H11ClN4S/c14-8-3-4-10-9(6-8)12(11-2-1-5-19-11)18-13(17-10)16-7-15/h1-6H,7,15H2,(H,16,17,18)
InChIKeyVFBUTMFHYQMDDH-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.34
Rot. Bonds3

About N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine

N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine (PubChem CID 142254122) has the molecular formula C13H11ClN4S and a molecular weight of 290.78 g/mol. Its IUPAC name is N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine.

Molecular Properties

Compound NameN'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine
PubChem CID142254122
Molecular FormulaC13H11ClN4S
Molecular Weight290.78 g/mol
Exact Mass290.04
IUPAC NameN'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine
SMILESNCNc1nc(-c2cccs2)c2cc(Cl)ccc2n1
InChIInChI=1S/C13H11ClN4S/c14-8-3-4-10-9(6-8)12(11-2-1-5-19-11)18-13(17-10)16-7-15/h1-6H,7,15H2,(H,16,17,18)
InChIKeyVFBUTMFHYQMDDH-UHFFFAOYSA-N
XLogP3.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,6-dichloro-2-thiophen-2-ylquinazoline
CID 55180550
6-chloro-2-thiophen-2-yl-3,1-benzoxazin-4-one
CID 574259
6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 625807
[amino-[(6-chloro-4-phenylquinazolin-2-yl)amino]methylidene]-[(2S)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-yl]azanium
CID 6583938
6-chloro-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine;(4-methylphenyl)methanol
CID 142260571
5-chloro-3-thiophen-2-yl-1,2-benzoxazole
CID 13404237
4-[[[6-chloro-2-(thiophen-2-ylmethylamino)quinazolin-4-yl]amino]methyl]benzoic acid
CID 70037881
7-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 82356194
6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine
CID 138683091
2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963629
6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine
CID 90254100
(4,6-dichloroquinazolin-2-yl)methanamine
CID 105485144

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine?
The IUPAC name of N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine (CID 142254122) is N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine.
What is the SMILES notation for N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine?
The canonical SMILES for N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine is NCNc1nc(-c2cccs2)c2cc(Cl)ccc2n1.
What is the InChIKey of N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine?
The InChIKey is VFBUTMFHYQMDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S/c14-8-3-4-10-9(6-8)12(11-2-1-5-19-11)18-13(17-10)16-7-15/h1-6H,7,15H2,(H,16,17,18).
What are the key properties of N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine?
N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine has a molecular weight of 290.78 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine is sourced from PubChem (CID 142254122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).