N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide

C15H18N4O2S — CID 167829767

IUPACN-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide
SMILESO=C(CCc1ncccn1)Nc1ncc(C2CCOCC2)s1
InChIInChI=1S/C15H18N4O2S/c20-14(3-2-13-16-6-1-7-17-13)19-15-18-10-12(22-15)11-4-8-21-9-5-11/h1,6-7,10-11H,2-5,8-9H2,(H,18,19,20)
InChIKeyRSPNAYHGQODOCB-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.40
Rot. Bonds5

About N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide

N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide (PubChem CID 167829767) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound NameN-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide
PubChem CID167829767
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide
SMILESO=C(CCc1ncccn1)Nc1ncc(C2CCOCC2)s1
InChIInChI=1S/C15H18N4O2S/c20-14(3-2-13-16-6-1-7-17-13)19-15-18-10-12(22-15)11-4-8-21-9-5-11/h1,6-7,10-11H,2-5,8-9H2,(H,18,19,20)
InChIKeyRSPNAYHGQODOCB-UHFFFAOYSA-N
XLogP2.40
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide 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 N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide?
The IUPAC name of N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide (CID 167829767) is N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide.
What is the SMILES notation for N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide?
The canonical SMILES for N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide is O=C(CCc1ncccn1)Nc1ncc(C2CCOCC2)s1.
What is the InChIKey of N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide?
The InChIKey is RSPNAYHGQODOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c20-14(3-2-13-16-6-1-7-17-13)19-15-18-10-12(22-15)11-4-8-21-9-5-11/h1,6-7,10-11H,2-5,8-9H2,(H,18,19,20).
What are the key properties of N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide?
N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide has a molecular weight of 318.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 167829767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).