3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

C12H21N3S — CID 63824137

IUPAC3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESc1nc(CNCCCC2CCCNC2)cs1
InChIInChI=1S/C12H21N3S/c1-3-11(7-13-5-1)4-2-6-14-8-12-9-16-10-15-12/h9-11,13-14H,1-8H2
InChIKeySKIAJHNFQZMGIZ-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.01
Rot. Bonds6

About 3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (PubChem CID 63824137) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
PubChem CID63824137
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESc1nc(CNCCCC2CCCNC2)cs1
InChIInChI=1S/C12H21N3S/c1-3-11(7-13-5-1)4-2-6-14-8-12-9-16-10-15-12/h9-11,13-14H,1-8H2
InChIKeySKIAJHNFQZMGIZ-UHFFFAOYSA-N
XLogP2.01
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115639498
2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63825914
1-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823603
N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine
CID 115407510
2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63902488
4-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 106841033
N-(3-piperidin-3-ylpropyl)cyclobutanamine
CID 62416566
1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 106741088
N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine
CID 103982153
5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
CID 79002634
1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone
CID 19039430
N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63823778

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (CID 63824137) is 3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is c1nc(CNCCCC2CCCNC2)cs1.
What is the InChIKey of 3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The InChIKey is SKIAJHNFQZMGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-11(7-13-5-1)4-2-6-14-8-12-9-16-10-15-12/h9-11,13-14H,1-8H2.
What are the key properties of 3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 63824137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).