N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide

C13H15N3O2S — CID 3978830

IUPACN-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCCO)cs2)cc1
InChIInChI=1S/C13H15N3O2S/c1-9-2-4-10(5-3-9)15-13-16-11(8-19-13)12(18)14-6-7-17/h2-5,8,17H,6-7H2,1H3,(H,14,18)(H,15,16)
InChIKeyOZDUCIBNUPVHGW-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.92
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide

N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide (PubChem CID 3978830) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
PubChem CID3978830
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCCO)cs2)cc1
InChIInChI=1S/C13H15N3O2S/c1-9-2-4-10(5-3-9)15-13-16-11(8-19-13)12(18)14-6-7-17/h2-5,8,17H,6-7H2,1H3,(H,14,18)(H,15,16)
InChIKeyOZDUCIBNUPVHGW-UHFFFAOYSA-N
XLogP1.92
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3974707
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908
2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3978833
2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 7098101
3-[[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 42813686
2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
CID 16954831
N-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955220
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5023632
2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 122182342
N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 3911323
2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 4030631
2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 42813234

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide (CID 3978830) is N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide is Cc1ccc(Nc2nc(C(=O)NCCO)cs2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is OZDUCIBNUPVHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-2-4-10(5-3-9)15-13-16-11(8-19-13)12(18)14-6-7-17/h2-5,8,17H,6-7H2,1H3,(H,14,18)(H,15,16).
What are the key properties of N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3978830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).