4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

C14H13BrF3N5OS — CID 78874916

IUPAC4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H13BrF3N5OS/c15-9-1-2-11(19-7-9)22-3-5-23(6-4-22)13(24)21-12-20-10(8-25-12)14(16,17)18/h1-2,7-8H,3-6H2,(H,20,21,24)
InChIKeyGVOULUUCBWIPHS-UHFFFAOYSA-N
MW436.26 g/mol
LogP3.67
Rot. Bonds2

About 4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (PubChem CID 78874916) has the molecular formula C14H13BrF3N5OS and a molecular weight of 436.26 g/mol. Its IUPAC name is 4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
PubChem CID78874916
Molecular FormulaC14H13BrF3N5OS
Molecular Weight436.26 g/mol
Exact Mass435.00
IUPAC Name4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H13BrF3N5OS/c15-9-1-2-11(19-7-9)22-3-5-23(6-4-22)13(24)21-12-20-10(8-25-12)14(16,17)18/h1-2,7-8H,3-6H2,(H,20,21,24)
InChIKeyGVOULUUCBWIPHS-UHFFFAOYSA-N
XLogP3.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.26
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 55656561
4-(3-methylbenzoyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,4-diazepane-1-carboxamide
CID 78874921
4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 89424116
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 54871341
1-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethylsulfonyl)phenyl]piperazine
CID 60502319
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 55695316
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 35372699
2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 60945383
5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 43068584
4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47148349
(2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 103929235
N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 55351597

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (CID 78874916) is 4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is O=C(Nc1nc(C(F)(F)F)cs1)N1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is GVOULUUCBWIPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N5OS/c15-9-1-2-11(19-7-9)22-3-5-23(6-4-22)13(24)21-12-20-10(8-25-12)14(16,17)18/h1-2,7-8H,3-6H2,(H,20,21,24).
What are the key properties of 4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 436.26 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 78874916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).