N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine

C11H19N3S2 — CID 82760579

IUPACN-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCSC1CNCC1N(C)Cc1scnc1C
InChIInChI=1S/C11H19N3S2/c1-8-11(16-7-13-8)6-14(2)9-4-12-5-10(9)15-3/h7,9-10,12H,4-6H2,1-3H3
InChIKeyUBSIOWUFMSCOEU-UHFFFAOYSA-N
MW257.43 g/mol
LogP1.59
Rot. Bonds4

About N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine

N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 82760579) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
PubChem CID82760579
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC NameN-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCSC1CNCC1N(C)Cc1scnc1C
InChIInChI=1S/C11H19N3S2/c1-8-11(16-7-13-8)6-14(2)9-4-12-5-10(9)15-3/h7,9-10,12H,4-6H2,1-3H3
InChIKeyUBSIOWUFMSCOEU-UHFFFAOYSA-N
XLogP1.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
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N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopiperazine-2-carboxamide
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1-(4-bromophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
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N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 55261344
2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
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N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine (CID 82760579) is N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine is CSC1CNCC1N(C)Cc1scnc1C.
What is the InChIKey of N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is UBSIOWUFMSCOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-8-11(16-7-13-8)6-14(2)9-4-12-5-10(9)15-3/h7,9-10,12H,4-6H2,1-3H3.
What are the key properties of N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 257.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 82760579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).