(4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol

C14H10ClN3OS — CID 56658661

IUPAC(4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol
SMILESOC(c1ccc(Cl)cc1)(c1cncnc1)c1cscn1
InChIInChI=1S/C14H10ClN3OS/c15-12-3-1-10(2-4-12)14(19,13-7-20-9-18-13)11-5-16-8-17-6-11/h1-9,19H
InChIKeyKKYBBHZXMNXJKA-UHFFFAOYSA-N
MW303.77 g/mol
LogP2.87
Rot. Bonds3

About (4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol

(4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol (PubChem CID 56658661) has the molecular formula C14H10ClN3OS and a molecular weight of 303.77 g/mol. Its IUPAC name is (4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol
PubChem CID56658661
Molecular FormulaC14H10ClN3OS
Molecular Weight303.77 g/mol
Exact Mass303.02
IUPAC Name(4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol
SMILESOC(c1ccc(Cl)cc1)(c1cncnc1)c1cscn1
InChIInChI=1S/C14H10ClN3OS/c15-12-3-1-10(2-4-12)14(19,13-7-20-9-18-13)11-5-16-8-17-6-11/h1-9,19H
InChIKeyKKYBBHZXMNXJKA-UHFFFAOYSA-N
XLogP2.87
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol?
The IUPAC name of (4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol (CID 56658661) is (4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol is OC(c1ccc(Cl)cc1)(c1cncnc1)c1cscn1.
What is the InChIKey of (4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol?
The InChIKey is KKYBBHZXMNXJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3OS/c15-12-3-1-10(2-4-12)14(19,13-7-20-9-18-13)11-5-16-8-17-6-11/h1-9,19H.
What are the key properties of (4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol?
(4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol has a molecular weight of 303.77 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 56658661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).