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

C19H27N5OS — CID 51932499

IUPAC(1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccccc1[C@@H](CNc1nn2cc(C(C)(C)C)nc2s1)N(C)C
InChIInChI=1S/C19H27N5OS/c1-19(2,3)16-12-24-18(21-16)26-17(22-24)20-11-14(23(4)5)13-9-7-8-10-15(13)25-6/h7-10,12,14H,11H2,1-6H3,(H,20,22)/t14-/m1/s1
InChIKeyYLFWVOMSECJZON-CQSZACIVSA-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-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

(1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 51932499) 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-(2-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-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID51932499
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-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccccc1[C@@H](CNc1nn2cc(C(C)(C)C)nc2s1)N(C)C
InChIInChI=1S/C19H27N5OS/c1-19(2,3)16-12-24-18(21-16)26-17(22-24)20-11-14(23(4)5)13-9-7-8-10-15(13)25-6/h7-10,12,14H,11H2,1-6H3,(H,20,22)/t14-/m1/s1
InChIKeyYLFWVOMSECJZON-CQSZACIVSA-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-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2-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-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (CID 51932499) is (1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2-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-(2-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-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is COc1ccccc1[C@@H](CNc1nn2cc(C(C)(C)C)nc2s1)N(C)C.
What is the InChIKey of (1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is YLFWVOMSECJZON-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-19(2,3)16-12-24-18(21-16)26-17(22-24)20-11-14(23(4)5)13-9-7-8-10-15(13)25-6/h7-10,12,14H,11H2,1-6H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
(1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2-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-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 51932499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).