2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine

C14H25N3S — CID 54976397

IUPAC2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2csc(C)n2)C(C)C1
InChIInChI=1S/C14H25N3S/c1-4-6-15-13-5-7-17(11(2)8-13)9-14-10-18-12(3)16-14/h10-11,13,15H,4-9H2,1-3H3
InChIKeyBUZDELSXNPASAL-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.80
Rot. Bonds5

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

2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine (PubChem CID 54976397) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine
PubChem CID54976397
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2csc(C)n2)C(C)C1
InChIInChI=1S/C14H25N3S/c1-4-6-15-13-5-7-17(11(2)8-13)9-14-10-18-12(3)16-14/h10-11,13,15H,4-9H2,1-3H3
InChIKeyBUZDELSXNPASAL-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-((1,3-Thiazol-4-yl)methyl)piperazine
CID 28781798
1-((2-Methyl-1,3-thiazol-4-yl)methyl)piperazine
CID 16227460
Methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
CID 18939489
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane
CID 28781808
1-((1,3-Thiazol-4-yl)methyl)piperidin-4-amine
CID 43556525
{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
4-(Piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole
CID 53523916
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidine
CID 5019947
4-Methyl-2-(pyrrolidin-2-yl)-1,3-thiazole
CID 22256522
3-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 24261803
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 47397823
4-[(4-Ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 51086499

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine?
The IUPAC name of 2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine (CID 54976397) is 2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for 2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine?
The canonical SMILES for 2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine is CCCNC1CCN(Cc2csc(C)n2)C(C)C1.
What is the InChIKey of 2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine?
The InChIKey is BUZDELSXNPASAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-6-15-13-5-7-17(11(2)8-13)9-14-10-18-12(3)16-14/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of 2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine?
2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine has a molecular weight of 267.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 54976397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).