N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

C13H15N3OS — CID 43383805

IUPACN-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)Cc1ccccc1N
InChIInChI=1S/C13H15N3OS/c1-9-12(18-8-15-9)13(17)16(2)7-10-5-3-4-6-11(10)14/h3-6,8H,7,14H2,1-2H3
InChIKeyRMOHRFPHXWRQRD-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.31
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 43383805) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID43383805
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)Cc1ccccc1N
InChIInChI=1S/C13H15N3OS/c1-9-12(18-8-15-9)13(17)16(2)7-10-5-3-4-6-11(10)14/h3-6,8H,7,14H2,1-2H3
InChIKeyRMOHRFPHXWRQRD-UHFFFAOYSA-N
XLogP2.31
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
3-amino-N-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094457
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47209103
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 104742351
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 79652972
N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide
CID 43458354
methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate
CID 55008025
N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
CID 104669113
N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 56816608
N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508
N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860369

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 43383805) is N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)Cc1ccccc1N.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is RMOHRFPHXWRQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-12(18-8-15-9)13(17)16(2)7-10-5-3-4-6-11(10)14/h3-6,8H,7,14H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 43383805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).