2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C10H12N4S — CID 114554424

IUPAC2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCn1nccc1-c1nc2c(s1)CNCC2
InChIInChI=1S/C10H12N4S/c1-14-8(3-5-12-14)10-13-7-2-4-11-6-9(7)15-10/h3,5,11H,2,4,6H2,1H3
InChIKeyMELLUKYWRCBIEP-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.19
Rot. Bonds1

About 2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 114554424) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID114554424
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCn1nccc1-c1nc2c(s1)CNCC2
InChIInChI=1S/C10H12N4S/c1-14-8(3-5-12-14)10-13-7-2-4-11-6-9(7)15-10/h3,5,11H,2,4,6H2,1H3
InChIKeyMELLUKYWRCBIEP-UHFFFAOYSA-N
XLogP1.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-({4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1-piperazinyl}methyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine dihydrochloride
CID 56885364
N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 56906535
2,4-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124616398
(1S)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 132310161
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 132359707
N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62441773
N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62442544
N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783315
N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783316
N-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106785120
N-methyl-1-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785892
N-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106786085

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 114554424) is 2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is Cn1nccc1-c1nc2c(s1)CNCC2.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is MELLUKYWRCBIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-14-8(3-5-12-14)10-13-7-2-4-11-6-9(7)15-10/h3,5,11H,2,4,6H2,1H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 220.30 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 114554424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).