N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide

C18H17N5O2S — CID 70755938

IUPACN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(-c2[nH]ncc2C(=O)NCCc2cn3ccsc3n2)c1
InChIInChI=1S/C18H17N5O2S/c1-25-14-4-2-3-12(9-14)16-15(10-20-22-16)17(24)19-6-5-13-11-23-7-8-26-18(23)21-13/h2-4,7-11H,5-6H2,1H3,(H,19,24)(H,20,22)
InChIKeyTZWRVYCUFYCGFH-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.77
Rot. Bonds6

About N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 70755938) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID70755938
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(-c2[nH]ncc2C(=O)NCCc2cn3ccsc3n2)c1
InChIInChI=1S/C18H17N5O2S/c1-25-14-4-2-3-12(9-14)16-15(10-20-22-16)17(24)19-6-5-13-11-23-7-8-26-18(23)21-13/h2-4,7-11H,5-6H2,1H3,(H,19,24)(H,20,22)
InChIKeyTZWRVYCUFYCGFH-UHFFFAOYSA-N
XLogP2.77
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 2201062
N-(imidazo[2,1-b]thiazol-6-ylmethyl)-3-methoxybenzamide
CID 5310332
2-hydroxy-N-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide
CID 56933616
N-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 56933617
N-(2-(4-(6-(4-fluorophenyl)imidazo[2,1-b]thiazol-5-yl)pyrimidin-2-ylamino)ethyl)-4-methoxybenzamide
CID 60147936
3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
CID 162645490
N-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide
CID 56933615
N-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 56933618
N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796092
N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797570
5-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797697
5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797745

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide (CID 70755938) is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide is COc1cccc(-c2[nH]ncc2C(=O)NCCc2cn3ccsc3n2)c1.
What is the InChIKey of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is TZWRVYCUFYCGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-25-14-4-2-3-12(9-14)16-15(10-20-22-16)17(24)19-6-5-13-11-23-7-8-26-18(23)21-13/h2-4,7-11H,5-6H2,1H3,(H,19,24)(H,20,22).
What are the key properties of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70755938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).