4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole

C15H25N3S — CID 106043482

IUPAC4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CCNC3(CCCCC3)C2)cs1
InChIInChI=1S/C15H25N3S/c1-13-17-14(11-19-13)5-9-18-10-8-16-15(12-18)6-3-2-4-7-15/h11,16H,2-10,12H2,1H3
InChIKeyNBPSNMHORPRCSS-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.60
Rot. Bonds3

About 4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole

4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole (PubChem CID 106043482) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole
PubChem CID106043482
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CCNC3(CCCCC3)C2)cs1
InChIInChI=1S/C15H25N3S/c1-13-17-14(11-19-13)5-9-18-10-8-16-15(12-18)6-3-2-4-7-15/h11,16H,2-10,12H2,1H3
InChIKeyNBPSNMHORPRCSS-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(6,10-diazaspiro[4.6]undecan-10-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043606
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
2-methyl-4-[2-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 106043593
4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole
CID 100903513
2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane
CID 91836716
2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole
CID 64948404
9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
CID 64834067
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 106045753
4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64926773
4-(2-methoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 64834277
4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043577
2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 106043488

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole (CID 106043482) is 4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole is Cc1nc(CCN2CCNC3(CCCCC3)C2)cs1.
What is the InChIKey of 4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole?
The InChIKey is NBPSNMHORPRCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-13-17-14(11-19-13)5-9-18-10-8-16-15(12-18)6-3-2-4-7-15/h11,16H,2-10,12H2,1H3.
What are the key properties of 4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole?
4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole has a molecular weight of 279.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 106043482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).