5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine

C18H26N4O2S2 — CID 133383263

IUPAC5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)c1nnc(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1
InChIInChI=1S/C18H26N4O2S2/c1-18(2,3)16-20-21-17(25-16)19-13-14-7-9-15(10-8-14)26(23,24)22-11-5-4-6-12-22/h7-10H,4-6,11-13H2,1-3H3,(H,19,21)
InChIKeySXMKNKAKJCUQFW-UHFFFAOYSA-N
MW394.57 g/mol
LogP3.62
Rot. Bonds5

About 5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine

5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133383263) has the molecular formula C18H26N4O2S2 and a molecular weight of 394.57 g/mol. Its IUPAC name is 5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID133383263
Molecular FormulaC18H26N4O2S2
Molecular Weight394.57 g/mol
Exact Mass394.15
IUPAC Name5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)c1nnc(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1
InChIInChI=1S/C18H26N4O2S2/c1-18(2,3)16-20-21-17(25-16)19-13-14-7-9-15(10-8-14)26(23,24)22-11-5-4-6-12-22/h7-10H,4-6,11-13H2,1-3H3,(H,19,21)
InChIKeySXMKNKAKJCUQFW-UHFFFAOYSA-N
XLogP3.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133317905
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826196
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
5-tert-butyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 133382927
5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133373024
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133358464
2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 120589424
1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
CID 124779418
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4618133
2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile
CID 133396475
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
6-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrimidin-4-amine
CID 108775001

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 133383263) is 5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine is CC(C)(C)c1nnc(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1.
What is the InChIKey of 5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SXMKNKAKJCUQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S2/c1-18(2,3)16-20-21-17(25-16)19-13-14-7-9-15(10-8-14)26(23,24)22-11-5-4-6-12-22/h7-10H,4-6,11-13H2,1-3H3,(H,19,21).
What are the key properties of 5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 394.57 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133383263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).