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

C15H16N2S — CID 177183277

IUPAC4-(3-cyclopropylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc(C2CC2)cc(C2NCCc3scnc32)c1
InChIInChI=1S/C15H16N2S/c1-2-11(10-4-5-10)8-12(3-1)14-15-13(6-7-16-14)18-9-17-15/h1-3,8-10,14,16H,4-7H2
InChIKeyIRYBDXQVAIQQRW-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.26
Rot. Bonds2

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

4-(3-cyclopropylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 177183277) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(3-cyclopropylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(3-cyclopropylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
PubChem CID177183277
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name4-(3-cyclopropylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc(C2CC2)cc(C2NCCc3scnc32)c1
InChIInChI=1S/C15H16N2S/c1-2-11(10-4-5-10)8-12(3-1)14-15-13(6-7-16-14)18-9-17-15/h1-3,8-10,14,16H,4-7H2
InChIKeyIRYBDXQVAIQQRW-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
CID 177183278
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol
CID 165470353
1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543809
2-[3-(thian-4-yl)phenyl]pyrrolidine
CID 117372154
(4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 1491412
3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine
CID 79979954
4-amino-5-(3-cyclopropylphenyl)-1,5-dihydroimidazol-2-one
CID 79962290
4,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 130511810
N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 79981023
N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105189609
(3-cyclopropylphenyl)methanethiol
CID 79977406

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 4-(3-cyclopropylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine (CID 177183277) is 4-(3-cyclopropylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 4-(3-cyclopropylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 4-(3-cyclopropylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine is c1cc(C2CC2)cc(C2NCCc3scnc32)c1.
What is the InChIKey of 4-(3-cyclopropylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is IRYBDXQVAIQQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-2-11(10-4-5-10)8-12(3-1)14-15-13(6-7-16-14)18-9-17-15/h1-3,8-10,14,16H,4-7H2.
What are the key properties of 4-(3-cyclopropylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
4-(3-cyclopropylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 256.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 177183277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).