6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C19H22N6S — CID 133327141

IUPAC6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(Nc1nn2cc(C(C)(C)C)nc2s1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H22N6S/c1-13(14-6-8-15(9-7-14)24-11-5-10-20-24)21-17-23-25-12-16(19(2,3)4)22-18(25)26-17/h5-13H,1-4H3,(H,21,23)
InChIKeyUIPICKNRCQNYNC-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.45
Rot. Bonds4

About 6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133327141) has the molecular formula C19H22N6S and a molecular weight of 366.49 g/mol. Its IUPAC name is 6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133327141
Molecular FormulaC19H22N6S
Molecular Weight366.49 g/mol
Exact Mass366.16
IUPAC Name6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(Nc1nn2cc(C(C)(C)C)nc2s1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H22N6S/c1-13(14-6-8-15(9-7-14)24-11-5-10-20-24)21-17-23-25-12-16(19(2,3)4)22-18(25)26-17/h5-13H,1-4H3,(H,21,23)
InChIKeyUIPICKNRCQNYNC-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 47054394
N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyridin-2-amine
CID 133327058
N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine
CID 133327133
N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine
CID 133287378
N-[1-(4-pyrazol-1-ylphenyl)ethyl]quinolin-2-amine
CID 133327159
2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133327049
N-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133327165
(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
3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501837
2-methyl-3-(4-pyrazol-1-ylanilino)butan-2-ol
CID 65337972
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111509387

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133327141) is 6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(Nc1nn2cc(C(C)(C)C)nc2s1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is UIPICKNRCQNYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6S/c1-13(14-6-8-15(9-7-14)24-11-5-10-20-24)21-17-23-25-12-16(19(2,3)4)22-18(25)26-17/h5-13H,1-4H3,(H,21,23).
What are the key properties of 6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 366.49 g/mol, XLogP of 4.45, 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-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133327141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).