2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

C11H14N2S — CID 106477153

IUPAC2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESS=c1nc(C2CC2)[nH]c2c1CCCC2
InChIInChI=1S/C11H14N2S/c14-11-8-3-1-2-4-9(8)12-10(13-11)7-5-6-7/h7H,1-6H2,(H,12,13,14)
InChIKeyZZNZRIMNFTWMBR-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.90
Rot. Bonds1

About 2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477153) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477153
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESS=c1nc(C2CC2)[nH]c2c1CCCC2
InChIInChI=1S/C11H14N2S/c14-11-8-3-1-2-4-9(8)12-10(13-11)7-5-6-7/h7H,1-6H2,(H,12,13,14)
InChIKeyZZNZRIMNFTWMBR-UHFFFAOYSA-N
XLogP2.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

quinazoline-4(1H)-thione, 5,6,7,8-tetrahydro-2-methyl-
CID 17324452
2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477108
2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477133
2-(cyclopropylmethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476860
2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476899
5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione
CID 106477058
2-cyclopentyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477078
2-tert-butyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477083
2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477084
2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477104
2-(3-methylbutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477109
2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477120

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477153) is 2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is S=c1nc(C2CC2)[nH]c2c1CCCC2.
What is the InChIKey of 2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is ZZNZRIMNFTWMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c14-11-8-3-1-2-4-9(8)12-10(13-11)7-5-6-7/h7H,1-6H2,(H,12,13,14).
What are the key properties of 2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 206.31 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).