N-(thian-3-yl)quinazolin-2-amine

C13H15N3S — CID 114789314

IUPACN-(thian-3-yl)quinazolin-2-amine
SMILESc1ccc2nc(NC3CCCSC3)ncc2c1
InChIInChI=1S/C13H15N3S/c1-2-6-12-10(4-1)8-14-13(16-12)15-11-5-3-7-17-9-11/h1-2,4,6,8,11H,3,5,7,9H2,(H,14,15,16)
InChIKeyDJAIJLXFKGSMBF-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.94
Rot. Bonds2

About N-(thian-3-yl)quinazolin-2-amine

N-(thian-3-yl)quinazolin-2-amine (PubChem CID 114789314) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(thian-3-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(thian-3-yl)quinazolin-2-amine
PubChem CID114789314
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-(thian-3-yl)quinazolin-2-amine
SMILESc1ccc2nc(NC3CCCSC3)ncc2c1
InChIInChI=1S/C13H15N3S/c1-2-6-12-10(4-1)8-14-13(16-12)15-11-5-3-7-17-9-11/h1-2,4,6,8,11H,3,5,7,9H2,(H,14,15,16)
InChIKeyDJAIJLXFKGSMBF-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(3S)-thian-3-yl]quinazoline-2,4-diamine
CID 97250083
N-(oxan-4-yl)quinazolin-2-amine
CID 114788886
N-(2,3-dihydro-1H-inden-2-yl)quinazolin-2-amine
CID 107850601
3-methyl-N-(thian-3-yl)quinoxalin-2-amine
CID 115675173
N-(cyclopentylmethyl)quinazolin-2-amine
CID 114788866
(3S)-N-(2-chlorophenyl)thian-3-amine
CID 94885671
N-(thian-3-yl)quinolin-5-amine
CID 62873049
N-[(2-methylcyclopentyl)methyl]quinazolin-2-amine
CID 107419181
4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine
CID 113249980
N-(2-cyclobutylethyl)quinazolin-2-amine
CID 114789293
1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one
CID 86694293
6-bromo-N-cyclopentylquinazolin-2-amine
CID 118048975

Frequently Asked Questions

What is the IUPAC name of N-(thian-3-yl)quinazolin-2-amine?
The IUPAC name of N-(thian-3-yl)quinazolin-2-amine (CID 114789314) is N-(thian-3-yl)quinazolin-2-amine.
What is the SMILES notation for N-(thian-3-yl)quinazolin-2-amine?
The canonical SMILES for N-(thian-3-yl)quinazolin-2-amine is c1ccc2nc(NC3CCCSC3)ncc2c1.
What is the InChIKey of N-(thian-3-yl)quinazolin-2-amine?
The InChIKey is DJAIJLXFKGSMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-2-6-12-10(4-1)8-14-13(16-12)15-11-5-3-7-17-9-11/h1-2,4,6,8,11H,3,5,7,9H2,(H,14,15,16).
What are the key properties of N-(thian-3-yl)quinazolin-2-amine?
N-(thian-3-yl)quinazolin-2-amine has a molecular weight of 245.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-3-yl)quinazolin-2-amine is sourced from PubChem (CID 114789314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).