N-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide

C14H18N6O2S — CID 117079906

IUPACN-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(Nc2ccncn2)s1
InChIInChI=1S/C14H18N6O2S/c21-13(16-3-4-20-5-7-22-8-6-20)11-9-17-14(23-11)19-12-1-2-15-10-18-12/h1-2,9-10H,3-8H2,(H,16,21)(H,15,17,18,19)
InChIKeyQDFDPWGLUPKTAM-UHFFFAOYSA-N
MW334.41 g/mol
LogP0.74
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide

N-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 117079906) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID117079906
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(Nc2ccncn2)s1
InChIInChI=1S/C14H18N6O2S/c21-13(16-3-4-20-5-7-22-8-6-20)11-9-17-14(23-11)19-12-1-2-15-10-18-12/h1-2,9-10H,3-8H2,(H,16,21)(H,15,17,18,19)
InChIKeyQDFDPWGLUPKTAM-UHFFFAOYSA-N
XLogP0.74
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide 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-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide (CID 117079906) is N-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide is O=C(NCCN1CCOCC1)c1cnc(Nc2ccncn2)s1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is QDFDPWGLUPKTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c21-13(16-3-4-20-5-7-22-8-6-20)11-9-17-14(23-11)19-12-1-2-15-10-18-12/h1-2,9-10H,3-8H2,(H,16,21)(H,15,17,18,19).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
N-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117079906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).