N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

C18H23FN4OS — CID 155558336

IUPACN-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1F
InChIInChI=1S/C18H23FN4OS/c1-12(2)16-15(17(24)20-14-7-5-4-6-13(14)19)21-18(25-16)23-10-8-22(3)9-11-23/h4-7,12H,8-11H2,1-3H3,(H,20,24)
InChIKeyMLMXXNCQTZEOKG-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.41
Rot. Bonds4

About N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 155558336) has the molecular formula C18H23FN4OS and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID155558336
Molecular FormulaC18H23FN4OS
Molecular Weight362.47 g/mol
Exact Mass362.16
IUPAC NameN-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1F
InChIInChI=1S/C18H23FN4OS/c1-12(2)16-15(17(24)20-14-7-5-4-6-13(14)19)21-18(25-16)23-10-8-22(3)9-11-23/h4-7,12H,8-11H2,1-3H3,(H,20,24)
InChIKeyMLMXXNCQTZEOKG-UHFFFAOYSA-N
XLogP3.41
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 155558336) is N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MLMXXNCQTZEOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4OS/c1-12(2)16-15(17(24)20-14-7-5-4-6-13(14)19)21-18(25-16)23-10-8-22(3)9-11-23/h4-7,12H,8-11H2,1-3H3,(H,20,24).
What are the key properties of N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155558336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).