N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide

C15H10ClFN2O2S — CID 110383862

IUPACN-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
SMILESCc1nc(-c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)o2)cs1
InChIInChI=1S/C15H10ClFN2O2S/c1-8-18-12(7-22-8)13-4-5-14(21-13)15(20)19-9-2-3-11(17)10(16)6-9/h2-7H,1H3,(H,19,20)
InChIKeyOXTCTDQLPRSOCK-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.76
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide

N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide (PubChem CID 110383862) has the molecular formula C15H10ClFN2O2S and a molecular weight of 336.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
PubChem CID110383862
Molecular FormulaC15H10ClFN2O2S
Molecular Weight336.78 g/mol
Exact Mass336.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
SMILESCc1nc(-c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)o2)cs1
InChIInChI=1S/C15H10ClFN2O2S/c1-8-18-12(7-22-8)13-4-5-14(21-13)15(20)19-9-2-3-11(17)10(16)6-9/h2-7H,1H3,(H,19,20)
InChIKeyOXTCTDQLPRSOCK-UHFFFAOYSA-N
XLogP4.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383844
N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340
N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383889
N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383906
N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide
CID 58349862
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
N-(2-bromophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383894
N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide
CID 110859335
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
5-(4-chlorophenyl)-N-(3,4-difluorophenyl)furan-2-carboxamide
CID 18208546
N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948370
N-cyclopentyl-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383761

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide (CID 110383862) is N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide is Cc1nc(-c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)o2)cs1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
The InChIKey is OXTCTDQLPRSOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2S/c1-8-18-12(7-22-8)13-4-5-14(21-13)15(20)19-9-2-3-11(17)10(16)6-9/h2-7H,1H3,(H,19,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 110383862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).