3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide

C17H15ClN4O2S — CID 73349558

IUPAC3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
SMILESCCCc1csc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1
InChIInChI=1S/C17H15ClN4O2S/c1-2-3-13-9-25-17(21-13)22-16(23)11-4-12(18)6-14(5-11)24-15-7-19-10-20-8-15/h4-10H,2-3H2,1H3,(H,21,22,23)
InChIKeyHAUVOMIPSJIHDS-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.58
Rot. Bonds6

About 3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide

3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide (PubChem CID 73349558) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
PubChem CID73349558
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
SMILESCCCc1csc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1
InChIInChI=1S/C17H15ClN4O2S/c1-2-3-13-9-25-17(21-13)22-16(23)11-4-12(18)6-14(5-11)24-15-7-19-10-20-8-15/h4-10H,2-3H2,1H3,(H,21,22,23)
InChIKeyHAUVOMIPSJIHDS-UHFFFAOYSA-N
XLogP4.58
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide?
The IUPAC name of 3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide (CID 73349558) is 3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide.
What is the SMILES notation for 3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide?
The canonical SMILES for 3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide is CCCc1csc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.
What is the InChIKey of 3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide?
The InChIKey is HAUVOMIPSJIHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-2-3-13-9-25-17(21-13)22-16(23)11-4-12(18)6-14(5-11)24-15-7-19-10-20-8-15/h4-10H,2-3H2,1H3,(H,21,22,23).
What are the key properties of 3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide?
3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide has a molecular weight of 374.85 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide is sourced from PubChem (CID 73349558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).