(2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C14H14F3N5OS — CID 91631491

IUPAC(2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cs1
InChIInChI=1S/C14H14F3N5OS/c1-9-20-10(7-24-9)13(23)22-4-2-21(3-5-22)12-6-11(14(15,16)17)18-8-19-12/h6-8H,2-5H2,1H3
InChIKeyVTBQGLDPCNFMQZ-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.22
Rot. Bonds2

About (2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

(2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 91631491) has the molecular formula C14H14F3N5OS and a molecular weight of 357.36 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID91631491
Molecular FormulaC14H14F3N5OS
Molecular Weight357.36 g/mol
Exact Mass357.09
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cs1
InChIInChI=1S/C14H14F3N5OS/c1-9-20-10(7-24-9)13(23)22-4-2-21(3-5-22)12-6-11(14(15,16)17)18-8-19-12/h6-8H,2-5H2,1H3
InChIKeyVTBQGLDPCNFMQZ-UHFFFAOYSA-N
XLogP2.22
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Pyrimidin-2-ylpiperazin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038076
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72861628
2-(methylamino)-N-{[6-(4-morpholinyl)-4-pyrimidinyl]methyl}-1,3-thiazole-4-carboxamide
CID 56894900
N-prop-2-enyl-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 72151833
2-methyl-N-(1-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)thiazole-4-carboxamide
CID 91631432
6-methyl-2-[(3S)-3-methyl-4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 136582784
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-{2-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-YL]ethyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 50952085
N-ethyl-N-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 55521888
4-Methyl-2-{4-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-1-piperazinyl}-6-(trifluoromethyl)pyrimidine
CID 70759340
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidine-4-carboxamide
CID 71985964

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 91631491) is (2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1nc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is VTBQGLDPCNFMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5OS/c1-9-20-10(7-24-9)13(23)22-4-2-21(3-5-22)12-6-11(14(15,16)17)18-8-19-12/h6-8H,2-5H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 357.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 91631491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).