4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol

C17H18N4OS — CID 118736998

IUPAC4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C17H18N4OS/c22-13-4-2-12(3-5-13)21-17-14-7-11(16-8-18-10-23-16)1-6-15(14)19-9-20-17/h1,6-10,12-13,22H,2-5H2,(H,19,20,21)
InChIKeyHMWAKSCAHPAVEE-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.47
Rot. Bonds3

About 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol

4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol (PubChem CID 118736998) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol
PubChem CID118736998
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C17H18N4OS/c22-13-4-2-12(3-5-13)21-17-14-7-11(16-8-18-10-23-16)1-6-15(14)19-9-20-17/h1,6-10,12-13,22H,2-5H2,(H,19,20,21)
InChIKeyHMWAKSCAHPAVEE-UHFFFAOYSA-N
XLogP3.47
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol (CID 118736998) is 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1.
What is the InChIKey of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is HMWAKSCAHPAVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c22-13-4-2-12(3-5-13)21-17-14-7-11(16-8-18-10-23-16)1-6-15(14)19-9-20-17/h1,6-10,12-13,22H,2-5H2,(H,19,20,21).
What are the key properties of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol?
4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 326.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 118736998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).