[1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine

C15H18ClN3S — CID 139434665

IUPAC[1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(c2ncc(-c3ccccc3Cl)s2)C1
InChIInChI=1S/C15H18ClN3S/c1-15(9-17)6-7-19(10-15)14-18-8-13(20-14)11-4-2-3-5-12(11)16/h2-5,8H,6-7,9-10,17H2,1H3
InChIKeySQKFCCFADSAKOI-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.64
Rot. Bonds3

About [1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine

[1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 139434665) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is [1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID139434665
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name[1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(c2ncc(-c3ccccc3Cl)s2)C1
InChIInChI=1S/C15H18ClN3S/c1-15(9-17)6-7-19(10-15)14-18-8-13(20-14)11-4-2-3-5-12(11)16/h2-5,8H,6-7,9-10,17H2,1H3
InChIKeySQKFCCFADSAKOI-UHFFFAOYSA-N
XLogP3.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine (CID 139434665) is [1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine is CC1(CN)CCN(c2ncc(-c3ccccc3Cl)s2)C1.
What is the InChIKey of [1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is SQKFCCFADSAKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-15(9-17)6-7-19(10-15)14-18-8-13(20-14)11-4-2-3-5-12(11)16/h2-5,8H,6-7,9-10,17H2,1H3.
What are the key properties of [1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 307.85 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 139434665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).