(1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

C19H27N5OS — CID 51932503

IUPAC(1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1cccc([C@@H](CNc2nn3cc(C(C)(C)C)nc3s2)N(C)C)c1
InChIInChI=1S/C19H27N5OS/c1-19(2,3)16-12-24-18(21-16)26-17(22-24)20-11-15(23(4)5)13-8-7-9-14(10-13)25-6/h7-10,12,15H,11H2,1-6H3,(H,20,22)/t15-/m1/s1
InChIKeyHSHKCYJUWVATNY-OAHLLOKOSA-N
MW373.53 g/mol
LogP3.81
Rot. Bonds6

About (1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

(1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 51932503) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is (1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID51932503
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name(1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1cccc([C@@H](CNc2nn3cc(C(C)(C)C)nc3s2)N(C)C)c1
InChIInChI=1S/C19H27N5OS/c1-19(2,3)16-12-24-18(21-16)26-17(22-24)20-11-15(23(4)5)13-8-7-9-14(10-13)25-6/h7-10,12,15H,11H2,1-6H3,(H,20,22)/t15-/m1/s1
InChIKeyHSHKCYJUWVATNY-OAHLLOKOSA-N
XLogP3.81
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine with MolForge

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Related Compounds

N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 133314722
5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
CID 66280523
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine
CID 43094028
N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 47018446
6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 47054436
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 55517482
N'-but-3-ynyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 55210968
3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid
CID 79621335
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 43003471
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]propanoate
CID 43093101

Frequently Asked Questions

What is the IUPAC name of (1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of (1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (CID 51932503) is (1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for (1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for (1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is COc1cccc([C@@H](CNc2nn3cc(C(C)(C)C)nc3s2)N(C)C)c1.
What is the InChIKey of (1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is HSHKCYJUWVATNY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-19(2,3)16-12-24-18(21-16)26-17(22-24)20-11-15(23(4)5)13-8-7-9-14(10-13)25-6/h7-10,12,15H,11H2,1-6H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
(1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 373.53 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 51932503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).