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

C13H15N3O2S — CID 25246908

IUPACN-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Nc2nc(C(=O)NCCO)cs2)c1
InChIInChI=1S/C13H15N3O2S/c1-9-3-2-4-10(7-9)15-13-16-11(8-19-13)12(18)14-5-6-17/h2-4,7-8,17H,5-6H2,1H3,(H,14,18)(H,15,16)
InChIKeyXTCIRSNYPIPMPT-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.92
Rot. Bonds5

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

N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide (PubChem CID 25246908) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
PubChem CID25246908
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Nc2nc(C(=O)NCCO)cs2)c1
InChIInChI=1S/C13H15N3O2S/c1-9-3-2-4-10(7-9)15-13-16-11(8-19-13)12(18)14-5-6-17/h2-4,7-8,17H,5-6H2,1H3,(H,14,18)(H,15,16)
InChIKeyXTCIRSNYPIPMPT-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

2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 4030631
2-[[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 42795716
N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3978830
N-(2-amino-2-oxoethyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948584
2-(3,4-dimethoxyanilino)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16955410
N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 34421744
N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3974707
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5023632
2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3978833
N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5140917
2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813598
N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 3911323

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide (CID 25246908) is N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide is Cc1cccc(Nc2nc(C(=O)NCCO)cs2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is XTCIRSNYPIPMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-3-2-4-10(7-9)15-13-16-11(8-19-13)12(18)14-5-6-17/h2-4,7-8,17H,5-6H2,1H3,(H,14,18)(H,15,16).
What are the key properties of N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide?
N-(2-hydroxyethyl)-2-(3-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-(3-methylanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25246908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).