3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine

C13H24N4S — CID 68819692

IUPAC3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine
SMILESCC(CCN)N1CCC(c2nc(CN)cs2)CC1
InChIInChI=1S/C13H24N4S/c1-10(2-5-14)17-6-3-11(4-7-17)13-16-12(8-15)9-18-13/h9-11H,2-8,14-15H2,1H3
InChIKeyMTFWYCYJFOEUSF-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.52
Rot. Bonds5

About 3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine

3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine (PubChem CID 68819692) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine.

Molecular Properties

Compound Name3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine
PubChem CID68819692
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine
SMILESCC(CCN)N1CCC(c2nc(CN)cs2)CC1
InChIInChI=1S/C13H24N4S/c1-10(2-5-14)17-6-3-11(4-7-17)13-16-12(8-15)9-18-13/h9-11H,2-8,14-15H2,1H3
InChIKeyMTFWYCYJFOEUSF-UHFFFAOYSA-N
XLogP1.52
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-((2-Methyl-1,3-thiazol-4-yl)methyl)piperazine
CID 16227460
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-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 23404938
3-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 24261803
4-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261827
4-[(4-Ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 51086499
1-methylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 53512877
2-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-N-propylacetamide
CID 53531859
N'-{(3S*,4R*)-4-isopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyrrolidinyl}-N,N-dimethylsulfamide
CID 72868098

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine?
The IUPAC name of 3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine (CID 68819692) is 3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine.
What is the SMILES notation for 3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine?
The canonical SMILES for 3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine is CC(CCN)N1CCC(c2nc(CN)cs2)CC1.
What is the InChIKey of 3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine?
The InChIKey is MTFWYCYJFOEUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-10(2-5-14)17-6-3-11(4-7-17)13-16-12(8-15)9-18-13/h9-11H,2-8,14-15H2,1H3.
What are the key properties of 3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine?
3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(aminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-amine is sourced from PubChem (CID 68819692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).