2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride

C16H28ClN3S — CID 120841775

IUPAC2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride
SMILESCCCc1csc(CN2CCNCC23CCCCC3)n1.Cl
InChIInChI=1S/C16H27N3S.ClH/c1-2-6-14-12-20-15(18-14)11-19-10-9-17-13-16(19)7-4-3-5-8-16;/h12,17H,2-11,13H2,1H3;1H
InChIKeyVEWFOUWOJWUCPY-UHFFFAOYSA-N
MW329.94 g/mol
LogP3.63
Rot. Bonds4

About 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride

2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride (PubChem CID 120841775) has the molecular formula C16H28ClN3S and a molecular weight of 329.94 g/mol. Its IUPAC name is 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride
PubChem CID120841775
Molecular FormulaC16H28ClN3S
Molecular Weight329.94 g/mol
Exact Mass329.17
IUPAC Name2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride
SMILESCCCc1csc(CN2CCNCC23CCCCC3)n1.Cl
InChIInChI=1S/C16H27N3S.ClH/c1-2-6-14-12-20-15(18-14)11-19-10-9-17-13-16(19)7-4-3-5-8-16;/h12,17H,2-11,13H2,1H3;1H
InChIKeyVEWFOUWOJWUCPY-UHFFFAOYSA-N
XLogP3.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.94
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride
CID 119933287
1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64845816
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933531
4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
CID 119933366
2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride
CID 119933530
6-(quinolin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64845221
2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846302
4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole
CID 107385776
N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride
CID 120838062
4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride
CID 119933371
2-pentyl-4-propyl-1,3-thiazole
CID 55271530
N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120842796

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride?
The IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride (CID 120841775) is 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride is CCCc1csc(CN2CCNCC23CCCCC3)n1.Cl.
What is the InChIKey of 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride?
The InChIKey is VEWFOUWOJWUCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S.ClH/c1-2-6-14-12-20-15(18-14)11-19-10-9-17-13-16(19)7-4-3-5-8-16;/h12,17H,2-11,13H2,1H3;1H.
What are the key properties of 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride?
2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride has a molecular weight of 329.94 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120841775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).