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

C13H23N3S — CID 46785727

IUPACN-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCc1nc(N2CCCCC2)sc1CNC(C)C
InChIInChI=1S/C13H23N3S/c1-10(2)14-9-12-11(3)15-13(17-12)16-7-5-4-6-8-16/h10,14H,4-9H2,1-3H3
InChIKeyNOWYYKFSNWZXHI-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.94
Rot. Bonds4

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

N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 46785727) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID46785727
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCc1nc(N2CCCCC2)sc1CNC(C)C
InChIInChI=1S/C13H23N3S/c1-10(2)14-9-12-11(3)15-13(17-12)16-7-5-4-6-8-16/h10,14H,4-9H2,1-3H3
InChIKeyNOWYYKFSNWZXHI-UHFFFAOYSA-N
XLogP2.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.94
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]propan-2-amine?
The IUPAC name of N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 46785727) is N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine is Cc1nc(N2CCCCC2)sc1CNC(C)C.
What is the InChIKey of N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is NOWYYKFSNWZXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10(2)14-9-12-11(3)15-13(17-12)16-7-5-4-6-8-16/h10,14H,4-9H2,1-3H3.
What are the key properties of N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.94, 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]propan-2-amine is sourced from PubChem (CID 46785727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).