N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide

C16H21F3N4OS — CID 72917099

IUPACN-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCC(C)Cn2nc(C)cc2C(F)(F)F)cs1
InChIInChI=1S/C16H21F3N4OS/c1-4-5-14-21-12(9-25-14)15(24)20-7-10(2)8-23-13(16(17,18)19)6-11(3)22-23/h6,9-10H,4-5,7-8H2,1-3H3,(H,20,24)
InChIKeyLUUQUNSOFGKICC-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.69
Rot. Bonds7

About N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide

N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 72917099) has the molecular formula C16H21F3N4OS and a molecular weight of 374.43 g/mol. Its IUPAC name is N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID72917099
Molecular FormulaC16H21F3N4OS
Molecular Weight374.43 g/mol
Exact Mass374.14
IUPAC NameN-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCC(C)Cn2nc(C)cc2C(F)(F)F)cs1
InChIInChI=1S/C16H21F3N4OS/c1-4-5-14-21-12(9-25-14)15(24)20-7-10(2)8-23-13(16(17,18)19)6-11(3)22-23/h6,9-10H,4-5,7-8H2,1-3H3,(H,20,24)
InChIKeyLUUQUNSOFGKICC-UHFFFAOYSA-N
XLogP3.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide (CID 72917099) is N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NCC(C)Cn2nc(C)cc2C(F)(F)F)cs1.
What is the InChIKey of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is LUUQUNSOFGKICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4OS/c1-4-5-14-21-12(9-25-14)15(24)20-7-10(2)8-23-13(16(17,18)19)6-11(3)22-23/h6,9-10H,4-5,7-8H2,1-3H3,(H,20,24).
What are the key properties of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72917099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).