N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide

C20H17FN2O2S — CID 46066573

IUPACN-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(-c2cccc(OCc3cccc(F)c3)c2)n1
InChIInChI=1S/C20H17FN2O2S/c21-15-5-1-3-13(9-15)11-25-17-6-2-4-14(10-17)20-23-18(12-26-20)19(24)22-16-7-8-16/h1-6,9-10,12,16H,7-8,11H2,(H,22,24)
InChIKeyIQHBPBBGKKDHRR-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.42
Rot. Bonds6

About N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide

N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 46066573) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID46066573
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(-c2cccc(OCc3cccc(F)c3)c2)n1
InChIInChI=1S/C20H17FN2O2S/c21-15-5-1-3-13(9-15)11-25-17-6-2-4-14(10-17)20-23-18(12-26-20)19(24)22-16-7-8-16/h1-6,9-10,12,16H,7-8,11H2,(H,22,24)
InChIKeyIQHBPBBGKKDHRR-UHFFFAOYSA-N
XLogP4.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066959
2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46066422
2-[3-[(3-fluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068064
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46164923
2-[3-[(4-fluorophenyl)methoxy]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 92996299
N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866958
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065670
2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066606
methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 169498475
2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46066607
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46067879
N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066956

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide (CID 46066573) is N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide is O=C(NC1CC1)c1csc(-c2cccc(OCc3cccc(F)c3)c2)n1.
What is the InChIKey of N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IQHBPBBGKKDHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c21-15-5-1-3-13(9-15)11-25-17-6-2-4-14(10-17)20-23-18(12-26-20)19(24)22-16-7-8-16/h1-6,9-10,12,16H,7-8,11H2,(H,22,24).
What are the key properties of N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).