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

C15H19N3OS — CID 43460178

IUPACN-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(Cc1cccc(N)c1)C(C)C
InChIInChI=1S/C15H19N3OS/c1-10(2)18(8-12-5-4-6-13(16)7-12)15(19)14-11(3)17-9-20-14/h4-7,9-10H,8,16H2,1-3H3
InChIKeyOBXZWBWTRCQAHY-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.08
Rot. Bonds4

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

N-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 43460178) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID43460178
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(Cc1cccc(N)c1)C(C)C
InChIInChI=1S/C15H19N3OS/c1-10(2)18(8-12-5-4-6-13(16)7-12)15(19)14-11(3)17-9-20-14/h4-7,9-10H,8,16H2,1-3H3
InChIKeyOBXZWBWTRCQAHY-UHFFFAOYSA-N
XLogP3.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.08
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-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 43460190
N-[(3-aminophenyl)methyl]-N-propan-2-ylthiadiazole-4-carboxamide
CID 65214123
N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide
CID 43460181
N-[(3-aminophenyl)methyl]-3-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 107516858
N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide
CID 104669124
N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide
CID 43460200
N-[(3-aminophenyl)methyl]-2,5-dibromo-N-propan-2-ylthiophene-3-carboxamide
CID 107959331
1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700032
N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 43459474
N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43383805
4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 61095288
N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 56816608

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 43460178) is N-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(Cc1cccc(N)c1)C(C)C.
What is the InChIKey of N-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OBXZWBWTRCQAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)18(8-12-5-4-6-13(16)7-12)15(19)14-11(3)17-9-20-14/h4-7,9-10H,8,16H2,1-3H3.
What are the key properties of N-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 43460178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).