2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide

C14H21F3N4OS — CID 120810579

IUPAC2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)NCC(N2CCNCC2)C(F)(F)F)s1
InChIInChI=1S/C14H21F3N4OS/c1-2-3-12-19-8-10(23-12)13(22)20-9-11(14(15,16)17)21-6-4-18-5-7-21/h8,11,18H,2-7,9H2,1H3,(H,20,22)
InChIKeyLEKIIYLEHFFOGJ-UHFFFAOYSA-N
MW350.41 g/mol
LogP1.66
Rot. Bonds6

About 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide

2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 120810579) has the molecular formula C14H21F3N4OS and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID120810579
Molecular FormulaC14H21F3N4OS
Molecular Weight350.41 g/mol
Exact Mass350.14
IUPAC Name2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)NCC(N2CCNCC2)C(F)(F)F)s1
InChIInChI=1S/C14H21F3N4OS/c1-2-3-12-19-8-10(23-12)13(22)20-9-11(14(15,16)17)21-6-4-18-5-7-21/h8,11,18H,2-7,9H2,1H3,(H,20,22)
InChIKeyLEKIIYLEHFFOGJ-UHFFFAOYSA-N
XLogP1.66
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 47398670
2-tert-butyl-N-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53516078
2-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 53537744
[(3S)-3-methyl-4-(2-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 60311992
(2-Cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 86796249
2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 58458786
N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 68738967
(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone
CID 129269848
(3-Propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone
CID 140929189
N,N-dimethyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 146566058
N,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 146566059
N-(2,6-dioxopiperidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 156408229

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide (CID 120810579) is 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide is CCCc1ncc(C(=O)NCC(N2CCNCC2)C(F)(F)F)s1.
What is the InChIKey of 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LEKIIYLEHFFOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4OS/c1-2-3-12-19-8-10(23-12)13(22)20-9-11(14(15,16)17)21-6-4-18-5-7-21/h8,11,18H,2-7,9H2,1H3,(H,20,22).
What are the key properties of 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 350.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 120810579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).