N-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C18H17F2N3OS2 — CID 162669338

IUPACN-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1sc(-c2nccs2)nc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C18H17F2N3OS2/c1-10(2)7-14-15(23-18(26-14)17-21-5-6-25-17)16(24)22-9-11-3-4-12(19)8-13(11)20/h3-6,8,10H,7,9H2,1-2H3,(H,22,24)
InChIKeyRDKCDNSHSXBLRM-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.67
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 162669338) has the molecular formula C18H17F2N3OS2 and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID162669338
Molecular FormulaC18H17F2N3OS2
Molecular Weight393.48 g/mol
Exact Mass393.08
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1sc(-c2nccs2)nc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C18H17F2N3OS2/c1-10(2)7-14-15(23-18(26-14)17-21-5-6-25-17)16(24)22-9-11-3-4-12(19)8-13(11)20/h3-6,8,10H,7,9H2,1-2H3,(H,22,24)
InChIKeyRDKCDNSHSXBLRM-UHFFFAOYSA-N
XLogP4.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 162669338) is N-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is CC(C)Cc1sc(-c2nccs2)nc1C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is RDKCDNSHSXBLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3OS2/c1-10(2)7-14-15(23-18(26-14)17-21-5-6-25-17)16(24)22-9-11-3-4-12(19)8-13(11)20/h3-6,8,10H,7,9H2,1-2H3,(H,22,24).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 393.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 162669338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).