N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

C14H17N3OS — CID 119404834

IUPACN-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NCCCN)s1
InChIInChI=1S/C14H17N3OS/c1-10-17-12(11-6-3-2-4-7-11)13(19-10)14(18)16-9-5-8-15/h2-4,6-7H,5,8-9,15H2,1H3,(H,16,18)
InChIKeyIHUMPLYLWSESRS-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.20
Rot. Bonds5

About N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 119404834) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID119404834
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NCCCN)s1
InChIInChI=1S/C14H17N3OS/c1-10-17-12(11-6-3-2-4-7-11)13(19-10)14(18)16-9-5-8-15/h2-4,6-7H,5,8-9,15H2,1H3,(H,16,18)
InChIKeyIHUMPLYLWSESRS-UHFFFAOYSA-N
XLogP2.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 24645771
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 118917738
2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 24505031
2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071451
[2-(2-methoxyethylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617788
(2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695141
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9086784
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 134397788
[2-oxo-2-(propylamino)ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617909
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 142753650

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (CID 119404834) is N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)NCCCN)s1.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is IHUMPLYLWSESRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-17-12(11-6-3-2-4-7-11)13(19-10)14(18)16-9-5-8-15/h2-4,6-7H,5,8-9,15H2,1H3,(H,16,18).
What are the key properties of N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119404834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).