N-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide

C13H15N3OS — CID 114034032

IUPACN-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)c2cccc(N)c2)s1
InChIInChI=1S/C13H15N3OS/c1-8-12(18-9(2)15-8)13(17)16(3)11-6-4-5-10(14)7-11/h4-7H,14H2,1-3H3
InChIKeyLIKIIRHIRCKZHQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.62
Rot. Bonds2

About N-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide

N-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 114034032) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID114034032
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)c2cccc(N)c2)s1
InChIInChI=1S/C13H15N3OS/c1-8-12(18-9(2)15-8)13(17)16(3)11-6-4-5-10(14)7-11/h4-7H,14H2,1-3H3
InChIKeyLIKIIRHIRCKZHQ-UHFFFAOYSA-N
XLogP2.62
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide (CID 114034032) is N-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(C)c2cccc(N)c2)s1.
What is the InChIKey of N-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is LIKIIRHIRCKZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-12(18-9(2)15-8)13(17)16(3)11-6-4-5-10(14)7-11/h4-7H,14H2,1-3H3.
What are the key properties of N-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
N-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114034032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).