5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C16H15F3N6O2S — CID 137049287

IUPAC5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1c(C(=O)N2CCC(C(F)(F)F)CC2)cnn1-c1nc2ncsc2c(=O)[nH]1
InChIInChI=1S/C16H15F3N6O2S/c1-8-10(14(27)24-4-2-9(3-5-24)16(17,18)19)6-21-25(8)15-22-12-11(13(26)23-15)28-7-20-12/h6-7,9H,2-5H2,1H3,(H,22,23,26)
InChIKeyFKWJYBBUFMPOSO-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.29
Rot. Bonds2

About 5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 137049287) has the molecular formula C16H15F3N6O2S and a molecular weight of 412.40 g/mol. Its IUPAC name is 5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID137049287
Molecular FormulaC16H15F3N6O2S
Molecular Weight412.40 g/mol
Exact Mass412.09
IUPAC Name5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1c(C(=O)N2CCC(C(F)(F)F)CC2)cnn1-c1nc2ncsc2c(=O)[nH]1
InChIInChI=1S/C16H15F3N6O2S/c1-8-10(14(27)24-4-2-9(3-5-24)16(17,18)19)6-21-25(8)15-22-12-11(13(26)23-15)28-7-20-12/h6-7,9H,2-5H2,1H3,(H,22,23,26)
InChIKeyFKWJYBBUFMPOSO-UHFFFAOYSA-N
XLogP2.29
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-Methyl-4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049585
5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 126750776
1-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51097781
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53587462
tert-butyl 2-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 56302847
1-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 56312712
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56333879
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56334006
tert-butyl 2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 78889837
[5-(Difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]methanone
CID 86816971
1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008805
[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 87020342

Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 137049287) is 5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is Cc1c(C(=O)N2CCC(C(F)(F)F)CC2)cnn1-c1nc2ncsc2c(=O)[nH]1.
What is the InChIKey of 5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is FKWJYBBUFMPOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O2S/c1-8-10(14(27)24-4-2-9(3-5-24)16(17,18)19)6-21-25(8)15-22-12-11(13(26)23-15)28-7-20-12/h6-7,9H,2-5H2,1H3,(H,22,23,26).
What are the key properties of 5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 412.40 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 137049287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).