6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C19H27N7S — CID 133336089

IUPAC6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cc(N2CCC(Nc3nn4cc(C(C)(C)C)nc4s3)CC2)nc(C)n1
InChIInChI=1S/C19H27N7S/c1-12-10-16(21-13(2)20-12)25-8-6-14(7-9-25)22-17-24-26-11-15(19(3,4)5)23-18(26)27-17/h10-11,14H,6-9H2,1-5H3,(H,22,24)
InChIKeyPFQGIFODXXIHFC-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.58
Rot. Bonds3

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

6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133336089) has the molecular formula C19H27N7S and a molecular weight of 385.54 g/mol. Its IUPAC name is 6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133336089
Molecular FormulaC19H27N7S
Molecular Weight385.54 g/mol
Exact Mass385.20
IUPAC Name6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cc(N2CCC(Nc3nn4cc(C(C)(C)C)nc4s3)CC2)nc(C)n1
InChIInChI=1S/C19H27N7S/c1-12-10-16(21-13(2)20-12)25-8-6-14(7-9-25)22-17-24-26-11-15(19(3,4)5)23-18(26)27-17/h10-11,14H,6-9H2,1-5H3,(H,22,24)
InChIKeyPFQGIFODXXIHFC-UHFFFAOYSA-N
XLogP3.58
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286764
6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 75414039
N-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 56821501
2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide
CID 55544817
3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 133325540
methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate
CID 133336131
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 133336157
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 129330886
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133336089) is 6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cc(N2CCC(Nc3nn4cc(C(C)(C)C)nc4s3)CC2)nc(C)n1.
What is the InChIKey of 6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is PFQGIFODXXIHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7S/c1-12-10-16(21-13(2)20-12)25-8-6-14(7-9-25)22-17-24-26-11-15(19(3,4)5)23-18(26)27-17/h10-11,14H,6-9H2,1-5H3,(H,22,24).
What are the key properties of 6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 385.54 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133336089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).