2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C18H30N4S — CID 91913671

IUPAC2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCN1CCc2nc(N3CCN(CC4CCCCC4)CC3)sc2C1
InChIInChI=1S/C18H30N4S/c1-20-8-7-16-17(14-20)23-18(19-16)22-11-9-21(10-12-22)13-15-5-3-2-4-6-15/h15H,2-14H2,1H3
InChIKeyLCGKSMUVOARVDL-UHFFFAOYSA-N
MW334.53 g/mol
LogP2.83
Rot. Bonds3

About 2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 91913671) has the molecular formula C18H30N4S and a molecular weight of 334.53 g/mol. Its IUPAC name is 2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID91913671
Molecular FormulaC18H30N4S
Molecular Weight334.53 g/mol
Exact Mass334.22
IUPAC Name2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCN1CCc2nc(N3CCN(CC4CCCCC4)CC3)sc2C1
InChIInChI=1S/C18H30N4S/c1-20-8-7-16-17(14-20)23-18(19-16)22-11-9-21(10-12-22)13-15-5-3-2-4-6-15/h15H,2-14H2,1H3
InChIKeyLCGKSMUVOARVDL-UHFFFAOYSA-N
XLogP2.83
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Related Compounds

2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62750372
2-bromo-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrobromide
CID 11483833
5-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133334882
5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 90062906
N-cyclopentyl-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108506003
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62889589
1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one
CID 53188365
2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-ol
CID 91491462
N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62780311
3-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazin-1-yl]propanoic acid
CID 82167572
5-(cyclohexylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 91033036
2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 58459811

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 91913671) is 2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is CN1CCc2nc(N3CCN(CC4CCCCC4)CC3)sc2C1.
What is the InChIKey of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is LCGKSMUVOARVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4S/c1-20-8-7-16-17(14-20)23-18(19-16)22-11-9-21(10-12-22)13-15-5-3-2-4-6-15/h15H,2-14H2,1H3.
What are the key properties of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 334.53 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 91913671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).