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

C14H12Cl2F3N5OS — CID 162643128

IUPACN-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ncc(Cl)s1)N1CCN(c2cc(C(F)(F)F)c(Cl)cn2)CC1
InChIInChI=1S/C14H12Cl2F3N5OS/c15-9-6-20-11(5-8(9)14(17,18)19)23-1-3-24(4-2-23)13(25)22-12-21-7-10(16)26-12/h5-7H,1-4H2,(H,21,22,25)
InChIKeySBJSNDKCDUOERY-UHFFFAOYSA-N
MW426.25 g/mol
LogP4.22
Rot. Bonds2

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

N-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 162643128) has the molecular formula C14H12Cl2F3N5OS and a molecular weight of 426.25 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID162643128
Molecular FormulaC14H12Cl2F3N5OS
Molecular Weight426.25 g/mol
Exact Mass425.01
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ncc(Cl)s1)N1CCN(c2cc(C(F)(F)F)c(Cl)cn2)CC1
InChIInChI=1S/C14H12Cl2F3N5OS/c15-9-6-20-11(5-8(9)14(17,18)19)23-1-3-24(4-2-23)13(25)22-12-21-7-10(16)26-12/h5-7H,1-4H2,(H,21,22,25)
InChIKeySBJSNDKCDUOERY-UHFFFAOYSA-N
XLogP4.22
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.25
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-Thiazol-2-yl)pyridin-2-amine 18
CID 5329331
N-(1,3-Thiazol-2-yl)pyridin-2-amine 19
CID 5329332
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide
CID 25266390
4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420108
N-(5-chloro-1,3-thiazol-2-yl)-4-(5-cyano-4-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 145420157
HIV-1 inhibitor-35
CID 162644158
4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162644305
N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide
CID 162668787
4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 162675465
4-(5-cyano-4-methyl-2-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162662557
5-Thiazolecarboxamide, 2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-
CID 57537855
1-[4-(Chloromethyl)-1,3-thiazol-2-yl]-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 2773803

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 162643128) is N-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is O=C(Nc1ncc(Cl)s1)N1CCN(c2cc(C(F)(F)F)c(Cl)cn2)CC1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is SBJSNDKCDUOERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F3N5OS/c15-9-6-20-11(5-8(9)14(17,18)19)23-1-3-24(4-2-23)13(25)22-12-21-7-10(16)26-12/h5-7H,1-4H2,(H,21,22,25).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 426.25 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 162643128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).