3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole

C16H24N4S2 — CID 155166511

IUPAC3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC1(C)CN2C(CSC3=NCC4(CCCCC4)N3)=CSC2=N1
InChIInChI=1S/C16H24N4S2/c1-15(2)11-20-12(9-22-14(20)19-15)8-21-13-17-10-16(18-13)6-4-3-5-7-16/h9H,3-8,10-11H2,1-2H3,(H,17,18)
InChIKeyJTZCWTFSPFVSQZ-UHFFFAOYSA-N
MW336.53 g/mol
LogP3.42
Rot. Bonds2

About 3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole

3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole (PubChem CID 155166511) has the molecular formula C16H24N4S2 and a molecular weight of 336.53 g/mol. Its IUPAC name is 3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
PubChem CID155166511
Molecular FormulaC16H24N4S2
Molecular Weight336.53 g/mol
Exact Mass336.14
IUPAC Name3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC1(C)CN2C(CSC3=NCC4(CCCCC4)N3)=CSC2=N1
InChIInChI=1S/C16H24N4S2/c1-15(2)11-20-12(9-22-14(20)19-15)8-21-13-17-10-16(18-13)6-4-3-5-7-16/h9H,3-8,10-11H2,1-2H3,(H,17,18)
InChIKeyJTZCWTFSPFVSQZ-UHFFFAOYSA-N
XLogP3.42
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Isothiourea-1t
CID 25147749
1-Cyclohexyl-3-cyclopentyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea
CID 25178140
1-Cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)-3-hexylisothiourea
CID 25178567
3-[(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene
CID 155166509
3-(1,4,4a,5,6,7,8,8a-octahydroquinazolin-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166512
(5aS,9aR)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5a,6,7,8,9,9a-hexahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
CID 155166519
1-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
CID 155166538
3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
CID 155166648
3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166649
3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166679
3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166713
3-[[4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166720

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole (CID 155166511) is 3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole is CC1(C)CN2C(CSC3=NCC4(CCCCC4)N3)=CSC2=N1.
What is the InChIKey of 3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The InChIKey is JTZCWTFSPFVSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S2/c1-15(2)11-20-12(9-22-14(20)19-15)8-21-13-17-10-16(18-13)6-4-3-5-7-16/h9H,3-8,10-11H2,1-2H3,(H,17,18).
What are the key properties of 3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole has a molecular weight of 336.53 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155166511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).