N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide

C17H17N5O2S — CID 90505960

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2csc(Nc3ncccn3)n2)cc1
InChIInChI=1S/C17H17N5O2S/c1-24-13-5-3-12(4-6-13)7-10-18-15(23)14-11-25-17(21-14)22-16-19-8-2-9-20-16/h2-6,8-9,11H,7,10H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyYCQDUBBMJLEVEF-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.66
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90505960) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90505960
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2csc(Nc3ncccn3)n2)cc1
InChIInChI=1S/C17H17N5O2S/c1-24-13-5-3-12(4-6-13)7-10-18-15(23)14-11-25-17(21-14)22-16-19-8-2-9-20-16/h2-6,8-9,11H,7,10H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyYCQDUBBMJLEVEF-UHFFFAOYSA-N
XLogP2.66
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 16955399
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
N-[2-(4-hydroxyphenyl)ethyl]-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555612
N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506073
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117089794
N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90505942
2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109306340
2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3978833
2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 117088936
3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104740841
2-(4-methoxyanilino)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813235
2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 42865822

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (CID 90505960) is N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide is COc1ccc(CCNC(=O)c2csc(Nc3ncccn3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is YCQDUBBMJLEVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-24-13-5-3-12(4-6-13)7-10-18-15(23)14-11-25-17(21-14)22-16-19-8-2-9-20-16/h2-6,8-9,11H,7,10H2,1H3,(H,18,23)(H,19,20,21,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90505960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).