N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide

C18H19N5OS — CID 55699309

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCCc1ccc(-c2csc(NC(=O)CCNc3ncccn3)n2)cc1
InChIInChI=1S/C18H19N5OS/c1-2-13-4-6-14(7-5-13)15-12-25-18(22-15)23-16(24)8-11-21-17-19-9-3-10-20-17/h3-7,9-10,12H,2,8,11H2,1H3,(H,19,20,21)(H,22,23,24)
InChIKeySGCNMCFFSZRVPK-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.60
Rot. Bonds7

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 55699309) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
PubChem CID55699309
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCCc1ccc(-c2csc(NC(=O)CCNc3ncccn3)n2)cc1
InChIInChI=1S/C18H19N5OS/c1-2-13-4-6-14(7-5-13)15-12-25-18(22-15)23-16(24)8-11-21-17-19-9-3-10-20-17/h3-7,9-10,12H,2,8,11H2,1H3,(H,19,20,21)(H,22,23,24)
InChIKeySGCNMCFFSZRVPK-UHFFFAOYSA-N
XLogP3.60
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55487125
5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 43470750
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 16524347
ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate
CID 82316835
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119677844
methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
CID 16544084
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
2-(3-chlorophenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16549939
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide (CID 55699309) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide is CCc1ccc(-c2csc(NC(=O)CCNc3ncccn3)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is SGCNMCFFSZRVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-2-13-4-6-14(7-5-13)15-12-25-18(22-15)23-16(24)8-11-21-17-19-9-3-10-20-17/h3-7,9-10,12H,2,8,11H2,1H3,(H,19,20,21)(H,22,23,24).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 353.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 55699309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).