[2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C18H16F3N7OS — CID 171342228

IUPAC[2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc(Nc2ncccn2)s1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H16F3N7OS/c19-18(20,21)12-2-3-14(24-10-12)27-6-8-28(9-7-27)15(29)13-11-25-17(30-13)26-16-22-4-1-5-23-16/h1-5,10-11H,6-9H2,(H,22,23,25,26)
InChIKeyKYEBOPGXXCXWNL-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.05
Rot. Bonds4

About [2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

[2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 171342228) has the molecular formula C18H16F3N7OS and a molecular weight of 435.44 g/mol. Its IUPAC name is [2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID171342228
Molecular FormulaC18H16F3N7OS
Molecular Weight435.44 g/mol
Exact Mass435.11
IUPAC Name[2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc(Nc2ncccn2)s1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H16F3N7OS/c19-18(20,21)12-2-3-14(24-10-12)27-6-8-28(9-7-27)15(29)13-11-25-17(30-13)26-16-22-4-1-5-23-16/h1-5,10-11H,6-9H2,(H,22,23,25,26)
InChIKeyKYEBOPGXXCXWNL-UHFFFAOYSA-N
XLogP3.05
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

thieno[3,2-b][1]benzothiol-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 24503181
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CID 27809741
[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90506298
(2-hydroxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 33148672
[1-(thiophene-2-carbonyl)piperidin-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809876
[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90510362
4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 30863667
(5-ethyl-4-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 24630486
N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 55351597
[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 52907446
(2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4838574
(5-chloro-2-iodophenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 171342228) is [2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1cnc(Nc2ncccn2)s1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of [2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is KYEBOPGXXCXWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7OS/c19-18(20,21)12-2-3-14(24-10-12)27-6-8-28(9-7-27)15(29)13-11-25-17(30-13)26-16-22-4-1-5-23-16/h1-5,10-11H,6-9H2,(H,22,23,25,26).
What are the key properties of [2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
[2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 435.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 171342228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).