2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine

C10H17N3S2 — CID 82916054

IUPAC2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine
SMILESc1nc(CCNCC2CSCCN2)cs1
InChIInChI=1S/C10H17N3S2/c1(9-6-15-8-13-9)2-11-5-10-7-14-4-3-12-10/h6,8,10-12H,1-5,7H2
InChIKeyAPHQHERAYGUXHJ-UHFFFAOYSA-N
MW243.40 g/mol
LogP0.98
Rot. Bonds5

About 2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine

2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine (PubChem CID 82916054) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine
PubChem CID82916054
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine
SMILESc1nc(CCNCC2CSCCN2)cs1
InChIInChI=1S/C10H17N3S2/c1(9-6-15-8-13-9)2-11-5-10-7-14-4-3-12-10/h6,8,10-12H,1-5,7H2
InChIKeyAPHQHERAYGUXHJ-UHFFFAOYSA-N
XLogP0.98
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63823778
N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830953
N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916840
1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63825222
N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 82835172
N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830252
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829903
N-(oxan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63831696
N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63829717
1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine
CID 79842978
4-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]aniline
CID 63825390
N-(1,3-thiazol-4-ylmethyl)-1,4-dithiepan-6-amine
CID 122557869

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine (CID 82916054) is 2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine is c1nc(CCNCC2CSCCN2)cs1.
What is the InChIKey of 2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine?
The InChIKey is APHQHERAYGUXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1(9-6-15-8-13-9)2-11-5-10-7-14-4-3-12-10/h6,8,10-12H,1-5,7H2.
What are the key properties of 2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine?
2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine has a molecular weight of 243.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine is sourced from PubChem (CID 82916054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).