3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine

C17H24N4OS — CID 133494500

IUPAC3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
SMILESCOc1ccccc1N1CCC(Nc2nc(C(C)(C)C)ns2)C1
InChIInChI=1S/C17H24N4OS/c1-17(2,3)15-19-16(23-20-15)18-12-9-10-21(11-12)13-7-5-6-8-14(13)22-4/h5-8,12H,9-11H2,1-4H3,(H,18,19,20)
InChIKeyDUMAKXSIUOMXPA-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.54
Rot. Bonds4

About 3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine (PubChem CID 133494500) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
PubChem CID133494500
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
SMILESCOc1ccccc1N1CCC(Nc2nc(C(C)(C)C)ns2)C1
InChIInChI=1S/C17H24N4OS/c1-17(2,3)15-19-16(23-20-15)18-12-9-10-21(11-12)13-7-5-6-8-14(13)22-4/h5-8,12H,9-11H2,1-4H3,(H,18,19,20)
InChIKeyDUMAKXSIUOMXPA-UHFFFAOYSA-N
XLogP3.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
CID 133494519
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472386
N-[1-(2-methoxyphenyl)piperidin-3-yl]-6-methylpyridin-2-amine
CID 133483342
2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
CID 120597288
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 133404265
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100876121
4-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79111015
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119895364
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 119870921

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine (CID 133494500) is 3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine is COc1ccccc1N1CCC(Nc2nc(C(C)(C)C)ns2)C1.
What is the InChIKey of 3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine?
The InChIKey is DUMAKXSIUOMXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-17(2,3)15-19-16(23-20-15)18-12-9-10-21(11-12)13-7-5-6-8-14(13)22-4/h5-8,12H,9-11H2,1-4H3,(H,18,19,20).
What are the key properties of 3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine has a molecular weight of 332.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133494500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).