6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide

C17H18FN3OS — CID 5310245

IUPAC6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCC(C)C)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H18FN3OS/c1-10(2)8-19-16(22)15-11(3)21-9-14(20-17(21)23-15)12-4-6-13(18)7-5-12/h4-7,9-10H,8H2,1-3H3,(H,19,22)
InChIKeyCYTXIXUJSGUOLD-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.90
Rot. Bonds4

About 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide

6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 5310245) has the molecular formula C17H18FN3OS and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID5310245
Molecular FormulaC17H18FN3OS
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC Name6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCC(C)C)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H18FN3OS/c1-10(2)8-19-16(22)15-11(3)21-9-14(20-17(21)23-15)12-4-6-13(18)7-5-12/h4-7,9-10H,8H2,1-3H3,(H,19,22)
InChIKeyCYTXIXUJSGUOLD-UHFFFAOYSA-N
XLogP3.90
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyclohexylacetyl)-[(4-fluorophenyl)methyl]amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 72545610
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018572
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
CID 786409
N-(4-(diethylamino)phenyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029593
6-(4-fluorophenyl)-N,3-dimethyl-N-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029632
N-benzyl-2-(4-benzyl-1H-1,2,3-triazol-1-yl)-4-methylthiazole-5-carboxamide
CID 24957857
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 25094875
2-(3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25094877
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095149
3-(difluoromethylsulfanyl)-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 25233238
2-[1-[1-(4-fluorophenyl)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 44192371

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 5310245) is 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)NCC(C)C)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is CYTXIXUJSGUOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS/c1-10(2)8-19-16(22)15-11(3)21-9-14(20-17(21)23-15)12-4-6-13(18)7-5-12/h4-7,9-10H,8H2,1-3H3,(H,19,22).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 5310245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).