1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine

C12H21N3S — CID 116964946

IUPAC1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nc(C2CCN(C)CC2)cs1
InChIInChI=1S/C12H21N3S/c1-9(13)7-12-14-11(8-16-12)10-3-5-15(2)6-4-10/h8-10H,3-7,13H2,1-2H3
InChIKeyFRYPONIXBMHMCV-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.84
Rot. Bonds3

About 1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine

1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine (PubChem CID 116964946) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine
PubChem CID116964946
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nc(C2CCN(C)CC2)cs1
InChIInChI=1S/C12H21N3S/c1-9(13)7-12-14-11(8-16-12)10-3-5-15(2)6-4-10/h8-10H,3-7,13H2,1-2H3
InChIKeyFRYPONIXBMHMCV-UHFFFAOYSA-N
XLogP1.84
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine
CID 116968277
2-methyl-3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116965792
4-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]butanenitrile
CID 116968995
4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 115021188
3-amino-3-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116966886
4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile
CID 116966279
N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 116965296
2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 115042295
2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol
CID 116969693
methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate
CID 116966375
[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol
CID 116969358
3-amino-3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116890756

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine?
The IUPAC name of 1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine (CID 116964946) is 1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine is CC(N)Cc1nc(C2CCN(C)CC2)cs1.
What is the InChIKey of 1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine?
The InChIKey is FRYPONIXBMHMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(13)7-12-14-11(8-16-12)10-3-5-15(2)6-4-10/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine?
1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine is sourced from PubChem (CID 116964946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).