1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

C14H14F3N5OS — CID 126889641

IUPAC1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H14F3N5OS/c15-14(16,17)11-5-12(19-7-18-11)21-9-1-3-22(4-2-9)13(23)10-6-24-8-20-10/h5-9H,1-4H2,(H,18,19,21)
InChIKeyJFIIIRKWBSJEOQ-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.67
Rot. Bonds3

About 1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (PubChem CID 126889641) has the molecular formula C14H14F3N5OS and a molecular weight of 357.36 g/mol. Its IUPAC name is 1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
PubChem CID126889641
Molecular FormulaC14H14F3N5OS
Molecular Weight357.36 g/mol
Exact Mass357.09
IUPAC Name1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H14F3N5OS/c15-14(16,17)11-5-12(19-7-18-11)21-9-1-3-22(4-2-9)13(23)10-6-24-8-20-10/h5-9H,1-4H2,(H,18,19,21)
InChIKeyJFIIIRKWBSJEOQ-UHFFFAOYSA-N
XLogP2.67
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 145980044
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72861628
2-methyl-N-(1-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)thiazole-4-carboxamide
CID 91631432
N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-6-(piperidin-1-yl)pyrimidine-4-carboxamide
CID 91628649
2-(methylamino)-N-{[6-(4-morpholinyl)-4-pyrimidinyl]methyl}-1,3-thiazole-4-carboxamide
CID 56894900
(2-Methylthiazol-4-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631491
2-[1-[6-(Trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 68498893
N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 68498894
N-[[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 132206778
1-[4-[2-[(4,4-Difluorocyclohexyl)amino]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 132207639
2-[4-[(4,4-Difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-1,3-thiazole-4-carbaldehyde
CID 139300321
[3-[[(7S)-4,8-dimethyl-7-propan-2-yl-6,7-dihydro-5H-pteridin-2-yl]amino]azetidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 170340313

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of 1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (CID 126889641) is 1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is O=C(c1cscn1)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The InChIKey is JFIIIRKWBSJEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5OS/c15-14(16,17)11-5-12(19-7-18-11)21-9-1-3-22(4-2-9)13(23)10-6-24-8-20-10/h5-9H,1-4H2,(H,18,19,21).
What are the key properties of 1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone has a molecular weight of 357.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 126889641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).