N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide

C11H10Cl2N4OS — CID 172595745

IUPACN-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC(Cl)(Cl)C1)c1csc(-c2cnc[nH]2)n1
InChIInChI=1S/C11H10Cl2N4OS/c12-11(13)1-6(2-11)16-9(18)8-4-19-10(17-8)7-3-14-5-15-7/h3-6H,1-2H2,(H,14,15)(H,16,18)
InChIKeyQTHSXRXWNGPMGQ-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.60
Rot. Bonds3

About N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide

N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 172595745) has the molecular formula C11H10Cl2N4OS and a molecular weight of 317.20 g/mol. Its IUPAC name is N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID172595745
Molecular FormulaC11H10Cl2N4OS
Molecular Weight317.20 g/mol
Exact Mass316.00
IUPAC NameN-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC(Cl)(Cl)C1)c1csc(-c2cnc[nH]2)n1
InChIInChI=1S/C11H10Cl2N4OS/c12-11(13)1-6(2-11)16-9(18)8-4-19-10(17-8)7-3-14-5-15-7/h3-6H,1-2H2,(H,14,15)(H,16,18)
InChIKeyQTHSXRXWNGPMGQ-UHFFFAOYSA-N
XLogP2.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 172595718
N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 172595765
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 167957814
2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 17490161
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
2-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119389747
N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 75361451
2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
CID 110909676
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
4-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104892997
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119456734

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide (CID 172595745) is N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide is O=C(NC1CC(Cl)(Cl)C1)c1csc(-c2cnc[nH]2)n1.
What is the InChIKey of N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is QTHSXRXWNGPMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4OS/c12-11(13)1-6(2-11)16-9(18)8-4-19-10(17-8)7-3-14-5-15-7/h3-6H,1-2H2,(H,14,15)(H,16,18).
What are the key properties of N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 317.20 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 172595745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).