3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole

C16H24N4S2 — CID 162532382

IUPAC3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC1(C)CN2C(CSC3=N[C@@H]4CCCC[C@H]4CN3)=CSC2=N1
InChIInChI=1S/C16H24N4S2/c1-16(2)10-20-12(9-22-15(20)19-16)8-21-14-17-7-11-5-3-4-6-13(11)18-14/h9,11,13H,3-8,10H2,1-2H3,(H,17,18)/t11-,13+/m0/s1
InChIKeyLMEVDGSQTCYGND-WCQYABFASA-N
MW336.53 g/mol
LogP3.28
Rot. Bonds2

About 3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole

3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole (PubChem CID 162532382) has the molecular formula C16H24N4S2 and a molecular weight of 336.53 g/mol. Its IUPAC name is 3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
PubChem CID162532382
Molecular FormulaC16H24N4S2
Molecular Weight336.53 g/mol
Exact Mass336.14
IUPAC Name3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC1(C)CN2C(CSC3=N[C@@H]4CCCC[C@H]4CN3)=CSC2=N1
InChIInChI=1S/C16H24N4S2/c1-16(2)10-20-12(9-22-15(20)19-16)8-21-14-17-7-11-5-3-4-6-13(11)18-14/h9,11,13H,3-8,10H2,1-2H3,(H,17,18)/t11-,13+/m0/s1
InChIKeyLMEVDGSQTCYGND-WCQYABFASA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole with MolForge

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Related Compounds

Isothiourea-1t
CID 25147749
1-(4-Tert-butylcyclohexyl)-3-cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea
CID 25178569
IT1t dihydrochloride
CID 25178351
5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-(4-tert-butylcyclohexyl)-N'-cyclohexylcarbamimidothioate
CID 176519255
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-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166511
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
3-(2,4-diazabicyclo[3.3.1]non-2-en-3-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166526
3-[[(1R,5R)-2,4-diazabicyclo[3.3.1]non-2-en-3-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166527
3-[[(1R,5S)-2,4-diazabicyclo[3.3.1]non-2-en-3-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166548
3-[[(1S,5S)-2,4-diazabicyclo[3.3.1]non-2-en-3-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166643

Frequently Asked Questions

What is the IUPAC name of 3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole (CID 162532382) is 3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole is CC1(C)CN2C(CSC3=N[C@@H]4CCCC[C@H]4CN3)=CSC2=N1.
What is the InChIKey of 3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The InChIKey is LMEVDGSQTCYGND-WCQYABFASA-N. The full InChI is InChI=1S/C16H24N4S2/c1-16(2)10-20-12(9-22-15(20)19-16)8-21-14-17-7-11-5-3-4-6-13(11)18-14/h9,11,13H,3-8,10H2,1-2H3,(H,17,18)/t11-,13+/m0/s1.
What are the key properties of 3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole has a molecular weight of 336.53 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 162532382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).