N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide

C11H14N4OS — CID 47447578

IUPACN-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCn2ccnc2)cs1
InChIInChI=1S/C11H14N4OS/c1-9-14-10(7-17-9)11(16)13-3-2-5-15-6-4-12-8-15/h4,6-8H,2-3,5H2,1H3,(H,13,16)
InChIKeyQRIAZFZMOIRLOO-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.47
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide

N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 47447578) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID47447578
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCn2ccnc2)cs1
InChIInChI=1S/C11H14N4OS/c1-9-14-10(7-17-9)11(16)13-3-2-5-15-6-4-12-8-15/h4,6-8H,2-3,5H2,1H3,(H,13,16)
InChIKeyQRIAZFZMOIRLOO-UHFFFAOYSA-N
XLogP1.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
N-(3-imidazol-1-ylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 86911998
N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56892018
2-(aminomethyl)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 66376914
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4772684
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375
2-(azepan-1-yl)-N-(3-imidazol-1-ylpropyl)-6-methylpyrimidine-4-carboxamide
CID 71689441
2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 50981357

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 47447578) is N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCCn2ccnc2)cs1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is QRIAZFZMOIRLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-9-14-10(7-17-9)11(16)13-3-2-5-15-6-4-12-8-15/h4,6-8H,2-3,5H2,1H3,(H,13,16).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47447578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).