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

C14H18N6O2S — CID 117084477

IUPACN-(2-morpholin-4-ylethyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1csc(Nc2ncccn2)n1
InChIInChI=1S/C14H18N6O2S/c21-12(15-4-5-20-6-8-22-9-7-20)11-10-23-14(18-11)19-13-16-2-1-3-17-13/h1-3,10H,4-9H2,(H,15,21)(H,16,17,18,19)
InChIKeyHWFWCZPGWNOYJF-UHFFFAOYSA-N
MW334.41 g/mol
LogP0.74
Rot. Bonds6

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

N-(2-morpholin-4-ylethyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 117084477) 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-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID117084477
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1csc(Nc2ncccn2)n1
InChIInChI=1S/C14H18N6O2S/c21-12(15-4-5-20-6-8-22-9-7-20)11-10-23-14(18-11)19-13-16-2-1-3-17-13/h1-3,10H,4-9H2,(H,15,21)(H,16,17,18,19)
InChIKeyHWFWCZPGWNOYJF-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (CID 117084477) is N-(2-morpholin-4-ylethyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide is O=C(NCCN1CCOCC1)c1csc(Nc2ncccn2)n1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is HWFWCZPGWNOYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c21-12(15-4-5-20-6-8-22-9-7-20)11-10-23-14(18-11)19-13-16-2-1-3-17-13/h1-3,10H,4-9H2,(H,15,21)(H,16,17,18,19).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
N-(2-morpholin-4-ylethyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-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-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117084477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).