[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone

C12H19N3OS — CID 3773363

IUPAC[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2csc(C(C)N)n2)CC1
InChIInChI=1S/C12H19N3OS/c1-8-3-5-15(6-4-8)12(16)10-7-17-11(14-10)9(2)13/h7-9H,3-6,13H2,1-2H3
InChIKeyQPNQPRMBHNOTFO-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.03
Rot. Bonds2

About [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 3773363) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID3773363
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2csc(C(C)N)n2)CC1
InChIInChI=1S/C12H19N3OS/c1-8-3-5-15(6-4-8)12(16)10-7-17-11(14-10)9(2)13/h7-9H,3-6,13H2,1-2H3
InChIKeyQPNQPRMBHNOTFO-UHFFFAOYSA-N
XLogP2.03
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495456
2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide
CID 66388714
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 66389375
N-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanesulfonamide
CID 66388122
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957497
N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 102736248
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107217663
methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 66388535
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propylazepan-1-yl)methanone
CID 66390338
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone
CID 66389004
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 66388121
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66389634

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 3773363) is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2csc(C(C)N)n2)CC1.
What is the InChIKey of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is QPNQPRMBHNOTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-3-5-15(6-4-8)12(16)10-7-17-11(14-10)9(2)13/h7-9H,3-6,13H2,1-2H3.
What are the key properties of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 253.37 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3773363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).