1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine

C10H17N3S2 — CID 82917675

IUPAC1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine
SMILESCC(NCC1CSCCN1)c1nccs1
InChIInChI=1S/C10H17N3S2/c1-8(10-12-3-5-15-10)13-6-9-7-14-4-2-11-9/h3,5,8-9,11,13H,2,4,6-7H2,1H3
InChIKeyKJEFVPPIOIRFJN-UHFFFAOYSA-N
MW243.40 g/mol
LogP1.50
Rot. Bonds4

About 1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine

1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine (PubChem CID 82917675) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine
PubChem CID82917675
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine
SMILESCC(NCC1CSCCN1)c1nccs1
InChIInChI=1S/C10H17N3S2/c1-8(10-12-3-5-15-10)13-6-9-7-14-4-2-11-9/h3,5,8-9,11,13H,2,4,6-7H2,1H3
InChIKeyKJEFVPPIOIRFJN-UHFFFAOYSA-N
XLogP1.50
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-thiazol-2-yl)ethyl]thiomorpholine-3-carboxamide
CID 82915947
1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584011
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 116680140
N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 114421565
3-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271556
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 114042148
1-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]cyclobutan-1-amine
CID 79845095
3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol
CID 115888511
1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66385278
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64993645
3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine
CID 102978103

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine (CID 82917675) is 1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine is CC(NCC1CSCCN1)c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine?
The InChIKey is KJEFVPPIOIRFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-8(10-12-3-5-15-10)13-6-9-7-14-4-2-11-9/h3,5,8-9,11,13H,2,4,6-7H2,1H3.
What are the key properties of 1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine?
1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine has a molecular weight of 243.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine is sourced from PubChem (CID 82917675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).