1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine

C16H29N3OS — CID 72008385

IUPAC1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine
SMILESCCOC(C)C1=NC(=CS1)CN2CCC(CC2)NC(C)C
InChIInChI=1S/C16H29N3OS/c1-5-20-13(4)16-18-15(11-21-16)10-19-8-6-14(7-9-19)17-12(2)3/h11-14,17H,5-10H2,1-4H3
InChIKeyVHDLFKFAASPQAG-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.20
Rot. Bonds7

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

1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine (PubChem CID 72008385) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine
PubChem CID72008385
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine
SMILESCCOC(C)C1=NC(=CS1)CN2CCC(CC2)NC(C)C
InChIInChI=1S/C16H29N3OS/c1-5-20-13(4)16-18-15(11-21-16)10-19-8-6-14(7-9-19)17-12(2)3/h11-14,17H,5-10H2,1-4H3
InChIKeyVHDLFKFAASPQAG-UHFFFAOYSA-N
XLogP2.20
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity295

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 51086508
4-[(4-Methoxypiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 53527622
4-[[4-(Oxolan-2-ylmethyl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 53528717
1-(4-methylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53551612
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53584391
N-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 53607183
1-{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 54595740
1-[4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 56781129
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}-1,4-diazepane
CID 71755634
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 71755635
4-[[4-(2,2-Difluoroethyl)piperazin-1-yl]methyl]-2-(1-ethoxyethyl)-1,3-thiazole
CID 72008387
N-[[1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 72008390

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine (CID 72008385) is 1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine is CCOC(C)C1=NC(=CS1)CN2CCC(CC2)NC(C)C.
What is the InChIKey of 1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine?
The InChIKey is VHDLFKFAASPQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-5-20-13(4)16-18-15(11-21-16)10-19-8-6-14(7-9-19)17-12(2)3/h11-14,17H,5-10H2,1-4H3.
What are the key properties of 1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine?
1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine has a molecular weight of 311.50 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 72008385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).