N-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide

C18H21FN4OS — CID 71840300

IUPACN-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CC1)c1csc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C18H21FN4OS/c19-14-3-1-2-4-16(14)22-7-9-23(10-8-22)18-21-15(12-25-18)17(24)20-11-13-5-6-13/h1-4,12-13H,5-11H2,(H,20,24)
InChIKeyUJALCIWRHLSYRR-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.75
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide

N-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 71840300) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID71840300
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC NameN-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CC1)c1csc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C18H21FN4OS/c19-14-3-1-2-4-16(14)22-7-9-23(10-8-22)18-21-15(12-25-18)17(24)20-11-13-5-6-13/h1-4,12-13H,5-11H2,(H,20,24)
InChIKeyUJALCIWRHLSYRR-UHFFFAOYSA-N
XLogP2.75
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide (CID 71840300) is N-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide is O=C(NCC1CC1)c1csc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is UJALCIWRHLSYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c19-14-3-1-2-4-16(14)22-7-9-23(10-8-22)18-21-15(12-25-18)17(24)20-11-13-5-6-13/h1-4,12-13H,5-11H2,(H,20,24).
What are the key properties of N-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71840300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).