N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine

C13H21N3S — CID 46785730

IUPACN-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCc1nc(N2CCCCC2)sc1CNC1CC1
InChIInChI=1S/C13H21N3S/c1-10-12(9-14-11-5-6-11)17-13(15-10)16-7-3-2-4-8-16/h11,14H,2-9H2,1H3
InChIKeyLZXQSQBHVUMSSH-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.69
Rot. Bonds4

About N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine

N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine (PubChem CID 46785730) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
PubChem CID46785730
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCc1nc(N2CCCCC2)sc1CNC1CC1
InChIInChI=1S/C13H21N3S/c1-10-12(9-14-11-5-6-11)17-13(15-10)16-7-3-2-4-8-16/h11,14H,2-9H2,1H3
InChIKeyLZXQSQBHVUMSSH-UHFFFAOYSA-N
XLogP2.69
TPSA28.16 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine (CID 46785730) is N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine is Cc1nc(N2CCCCC2)sc1CNC1CC1.
What is the InChIKey of N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is LZXQSQBHVUMSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10-12(9-14-11-5-6-11)17-13(15-10)16-7-3-2-4-8-16/h11,14H,2-9H2,1H3.
What are the key properties of N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 251.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 46785730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).