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

C14H25N3S — CID 62961398

IUPACN-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine
SMILESCCc1csc(N2CCCCC2CNC(C)C)n1
InChIInChI=1S/C14H25N3S/c1-4-12-10-18-14(16-12)17-8-6-5-7-13(17)9-15-11(2)3/h10-11,13,15H,4-9H2,1-3H3
InChIKeyBSBHHMJHGJOZKG-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.06
Rot. Bonds5

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

N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine (PubChem CID 62961398) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine
PubChem CID62961398
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine
SMILESCCc1csc(N2CCCCC2CNC(C)C)n1
InChIInChI=1S/C14H25N3S/c1-4-12-10-18-14(16-12)17-8-6-5-7-13(17)9-15-11(2)3/h10-11,13,15H,4-9H2,1-3H3
InChIKeyBSBHHMJHGJOZKG-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine (CID 62961398) is N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine is CCc1csc(N2CCCCC2CNC(C)C)n1.
What is the InChIKey of N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is BSBHHMJHGJOZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-12-10-18-14(16-12)17-8-6-5-7-13(17)9-15-11(2)3/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine?
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62961398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).