6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C19H22N6S — CID 133375400

IUPAC6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1ccn(-c2ccccc2CNc2nn3cc(C(C)(C)C)nc3s2)n1
InChIInChI=1S/C19H22N6S/c1-13-9-10-24(22-13)15-8-6-5-7-14(15)11-20-17-23-25-12-16(19(2,3)4)21-18(25)26-17/h5-10,12H,11H2,1-4H3,(H,20,23)
InChIKeyQINULTPQIDEOQK-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.19
Rot. Bonds4

About 6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133375400) has the molecular formula C19H22N6S and a molecular weight of 366.49 g/mol. Its IUPAC name is 6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133375400
Molecular FormulaC19H22N6S
Molecular Weight366.49 g/mol
Exact Mass366.16
IUPAC Name6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1ccn(-c2ccccc2CNc2nn3cc(C(C)(C)C)nc3s2)n1
InChIInChI=1S/C19H22N6S/c1-13-9-10-24(22-13)15-8-6-5-7-14(15)11-20-17-23-25-12-16(19(2,3)4)21-18(25)26-17/h5-10,12H,11H2,1-4H3,(H,20,23)
InChIKeyQINULTPQIDEOQK-UHFFFAOYSA-N
XLogP4.19
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine
CID 133375460
6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417931
6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133271850
6-tert-butyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133367401
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
(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
N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine
CID 133287378
6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417217
6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 47054436
4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile
CID 133375330
(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
2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine
CID 133375431

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133375400) is 6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1ccn(-c2ccccc2CNc2nn3cc(C(C)(C)C)nc3s2)n1.
What is the InChIKey of 6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is QINULTPQIDEOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6S/c1-13-9-10-24(22-13)15-8-6-5-7-14(15)11-20-17-23-25-12-16(19(2,3)4)21-18(25)26-17/h5-10,12H,11H2,1-4H3,(H,20,23).
What are the key properties of 6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 366.49 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133375400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).