4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide

C19H20N4O2S — CID 138587036

IUPAC4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ncc2ccc(-c3cncs3)cc2n1)C1CCC(CO)CC1
InChIInChI=1S/C19H20N4O2S/c24-10-12-1-3-13(4-2-12)18(25)23-19-21-8-15-6-5-14(7-16(15)22-19)17-9-20-11-26-17/h5-9,11-13,24H,1-4,10H2,(H,21,22,23,25)
InChIKeyBVKMNPAAZVVBGO-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.49
Rot. Bonds4

About 4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide

4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide (PubChem CID 138587036) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide
PubChem CID138587036
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ncc2ccc(-c3cncs3)cc2n1)C1CCC(CO)CC1
InChIInChI=1S/C19H20N4O2S/c24-10-12-1-3-13(4-2-12)18(25)23-19-21-8-15-6-5-14(7-16(15)22-19)17-9-20-11-26-17/h5-9,11-13,24H,1-4,10H2,(H,21,22,23,25)
InChIKeyBVKMNPAAZVVBGO-UHFFFAOYSA-N
XLogP3.49
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide (CID 138587036) is 4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide is O=C(Nc1ncc2ccc(-c3cncs3)cc2n1)C1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide?
The InChIKey is BVKMNPAAZVVBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-10-12-1-3-13(4-2-12)18(25)23-19-21-8-15-6-5-14(7-16(15)22-19)17-9-20-11-26-17/h5-9,11-13,24H,1-4,10H2,(H,21,22,23,25).
What are the key properties of 4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide?
4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138587036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).