[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine

C13H21N3S — CID 120843077

IUPAC[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1Cc1scnc1C1CC1
InChIInChI=1S/C13H21N3S/c1-9-4-10(5-14)6-16(9)7-12-13(11-2-3-11)15-8-17-12/h8-11H,2-7,14H2,1H3
InChIKeyCNUHBDVSBJVQEZ-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.19
Rot. Bonds4

About [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine

[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine (PubChem CID 120843077) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine
PubChem CID120843077
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1Cc1scnc1C1CC1
InChIInChI=1S/C13H21N3S/c1-9-4-10(5-14)6-16(9)7-12-13(11-2-3-11)15-8-17-12/h8-11H,2-7,14H2,1H3
InChIKeyCNUHBDVSBJVQEZ-UHFFFAOYSA-N
XLogP2.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine (CID 120843077) is [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine is CC1CC(CN)CN1Cc1scnc1C1CC1.
What is the InChIKey of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
The InChIKey is CNUHBDVSBJVQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9-4-10(5-14)6-16(9)7-12-13(11-2-3-11)15-8-17-12/h8-11H,2-7,14H2,1H3.
What are the key properties of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine has a molecular weight of 251.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120843077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).