4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole

C11H14N4S — CID 96596564

IUPAC4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole
SMILESCc1csc(-n2nc3c(c2C)CCNC3)n1
InChIInChI=1S/C11H14N4S/c1-7-6-16-11(13-7)15-8(2)9-3-4-12-5-10(9)14-15/h6,12H,3-5H2,1-2H3
InChIKeySCONNVMUSIAPRU-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.59
Rot. Bonds1

About 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole

4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole (PubChem CID 96596564) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole
PubChem CID96596564
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole
SMILESCc1csc(-n2nc3c(c2C)CCNC3)n1
InChIInChI=1S/C11H14N4S/c1-7-6-16-11(13-7)15-8(2)9-3-4-12-5-10(9)14-15/h6,12H,3-5H2,1-2H3
InChIKeySCONNVMUSIAPRU-UHFFFAOYSA-N
XLogP1.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 136575157
2-Methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111616572
2-Methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111616573
1-Ethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111617362
1-Ethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111617363
2-Methyl-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111688270
1-Ethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111689102
1-Ethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 112007329
1-Ethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 112007330
2-Methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 112007336
2-methyl-4-[[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]methyl]-1,3-thiazole
CID 114739850
4-methyl-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]methyl]-1,3-thiazole
CID 114739871

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole (CID 96596564) is 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole is Cc1csc(-n2nc3c(c2C)CCNC3)n1.
What is the InChIKey of 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole?
The InChIKey is SCONNVMUSIAPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-7-6-16-11(13-7)15-8(2)9-3-4-12-5-10(9)14-15/h6,12H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole?
4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole has a molecular weight of 234.33 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-thiazole is sourced from PubChem (CID 96596564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).