2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine

C14H15N5S — CID 25416413

IUPAC2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine
SMILESCCn1ccnc1SCc1nc(N)c2ccccc2n1
InChIInChI=1S/C14H15N5S/c1-2-19-8-7-16-14(19)20-9-12-17-11-6-4-3-5-10(11)13(15)18-12/h3-8H,2,9H2,1H3,(H2,15,17,18)
InChIKeyCPDXYRRKFHDBHZ-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.72
Rot. Bonds4

About 2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine

2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine (PubChem CID 25416413) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine
PubChem CID25416413
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine
SMILESCCn1ccnc1SCc1nc(N)c2ccccc2n1
InChIInChI=1S/C14H15N5S/c1-2-19-8-7-16-14(19)20-9-12-17-11-6-4-3-5-10(11)13(15)18-12/h3-8H,2,9H2,1H3,(H2,15,17,18)
InChIKeyCPDXYRRKFHDBHZ-UHFFFAOYSA-N
XLogP2.72
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-amine
CID 38862851
2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine
CID 35422865
2-[(4-methylphenyl)sulfanylmethyl]quinazolin-4-amine
CID 27913615
2-[(4-amino-2-methylphenyl)sulfanylmethyl]quinazolin-4-amine
CID 43302936
2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine
CID 78832437
2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)quinazolin-4-amine
CID 17451357
2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine
CID 27935969
2-[(5-amino-2-chlorophenyl)sulfanylmethyl]quinazolin-4-amine
CID 79128586
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine
CID 27920346
5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 46574980
2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
CID 27914582
(4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate
CID 27914144

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine (CID 25416413) is 2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine is CCn1ccnc1SCc1nc(N)c2ccccc2n1.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine?
The InChIKey is CPDXYRRKFHDBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-2-19-8-7-16-14(19)20-9-12-17-11-6-4-3-5-10(11)13(15)18-12/h3-8H,2,9H2,1H3,(H2,15,17,18).
What are the key properties of 2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine?
2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine has a molecular weight of 285.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine is sourced from PubChem (CID 25416413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).