N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide

C18H18F2N4OS — CID 155882945

IUPACN-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(C(CNC(=O)c2cscn2)Cc2ccccc2)c(C(F)F)n1
InChIInChI=1S/C18H18F2N4OS/c1-24-9-14(16(23-24)17(19)20)13(7-12-5-3-2-4-6-12)8-21-18(25)15-10-26-11-22-15/h2-6,9-11,13,17H,7-8H2,1H3,(H,21,25)
InChIKeyPAMQIXHHHIBBCJ-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.57
Rot. Bonds7

About N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide

N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide (PubChem CID 155882945) has the molecular formula C18H18F2N4OS and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide
PubChem CID155882945
Molecular FormulaC18H18F2N4OS
Molecular Weight376.43 g/mol
Exact Mass376.12
IUPAC NameN-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(C(CNC(=O)c2cscn2)Cc2ccccc2)c(C(F)F)n1
InChIInChI=1S/C18H18F2N4OS/c1-24-9-14(16(23-24)17(19)20)13(7-12-5-3-2-4-6-12)8-21-18(25)15-10-26-11-22-15/h2-6,9-11,13,17H,7-8H2,1H3,(H,21,25)
InChIKeyPAMQIXHHHIBBCJ-UHFFFAOYSA-N
XLogP3.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide (CID 155882945) is N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide is Cn1cc(C(CNC(=O)c2cscn2)Cc2ccccc2)c(C(F)F)n1.
What is the InChIKey of N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PAMQIXHHHIBBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4OS/c1-24-9-14(16(23-24)17(19)20)13(7-12-5-3-2-4-6-12)8-21-18(25)15-10-26-11-22-15/h2-6,9-11,13,17H,7-8H2,1H3,(H,21,25).
What are the key properties of N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide?
N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-phenylpropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155882945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).