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

C18H18FN3OS2 — CID 23643979

IUPACN-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1sc(-c2nccs2)nc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H18FN3OS2/c1-11(2)9-14-15(22-18(25-14)17-20-7-8-24-17)16(23)21-10-12-3-5-13(19)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,21,23)
InChIKeyDPHPCLGZSLZAGL-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.53
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 23643979) has the molecular formula C18H18FN3OS2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID23643979
Molecular FormulaC18H18FN3OS2
Molecular Weight375.49 g/mol
Exact Mass375.09
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1sc(-c2nccs2)nc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H18FN3OS2/c1-11(2)9-14-15(22-18(25-14)17-20-7-8-24-17)16(23)21-10-12-3-5-13(19)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,21,23)
InChIKeyDPHPCLGZSLZAGL-UHFFFAOYSA-N
XLogP4.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 23643979) is N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is CC(C)Cc1sc(-c2nccs2)nc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DPHPCLGZSLZAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS2/c1-11(2)9-14-15(22-18(25-14)17-20-7-8-24-17)16(23)21-10-12-3-5-13(19)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23643979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).