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

C15H20ClN5S — CID 133494519

IUPAC3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NC2CCN(c3ncccc3Cl)C2)n1
InChIInChI=1S/C15H20ClN5S/c1-15(2,3)13-19-14(22-20-13)18-10-6-8-21(9-10)12-11(16)5-4-7-17-12/h4-5,7,10H,6,8-9H2,1-3H3,(H,18,19,20)
InChIKeyIZWNDWSJKXUSFE-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.57
Rot. Bonds3

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

3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine (PubChem CID 133494519) has the molecular formula C15H20ClN5S and a molecular weight of 337.88 g/mol. Its IUPAC name is 3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
PubChem CID133494519
Molecular FormulaC15H20ClN5S
Molecular Weight337.88 g/mol
Exact Mass337.11
IUPAC Name3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NC2CCN(c3ncccc3Cl)C2)n1
InChIInChI=1S/C15H20ClN5S/c1-15(2,3)13-19-14(22-20-13)18-10-6-8-21(9-10)12-11(16)5-4-7-17-12/h4-5,7,10H,6,8-9H2,1-3H3,(H,18,19,20)
InChIKeyIZWNDWSJKXUSFE-UHFFFAOYSA-N
XLogP3.57
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
CID 133494500
3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276899
(3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine
CID 97072925
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133491003
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133493496
4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide
CID 154794198
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 124888509
[2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol
CID 154741640
4-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79111015
3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine
CID 65275948
1-(3-chloro-2-pyridinyl)-N-(3-methylsulfonyl-2-nitrophenyl)pyrrolidin-3-amine
CID 133414404
N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine
CID 121184363

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine (CID 133494519) is 3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine is CC(C)(C)c1nsc(NC2CCN(c3ncccc3Cl)C2)n1.
What is the InChIKey of 3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine?
The InChIKey is IZWNDWSJKXUSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5S/c1-15(2,3)13-19-14(22-20-13)18-10-6-8-21(9-10)12-11(16)5-4-7-17-12/h4-5,7,10H,6,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of 3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine has a molecular weight of 337.88 g/mol, XLogP of 3.57, 3 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-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133494519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).