N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine

C12H21N3S2 — CID 66422771

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine
SMILESCc1nc(CN(C)CCC2CSCCN2)cs1
InChIInChI=1S/C12H21N3S2/c1-10-14-12(9-17-10)7-15(2)5-3-11-8-16-6-4-13-11/h9,11,13H,3-8H2,1-2H3
InChIKeySJFLYTXAIDUFTO-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.98
Rot. Bonds5

About N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine (PubChem CID 66422771) has the molecular formula C12H21N3S2 and a molecular weight of 271.45 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine
PubChem CID66422771
Molecular FormulaC12H21N3S2
Molecular Weight271.45 g/mol
Exact Mass271.12
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine
SMILESCc1nc(CN(C)CCC2CSCCN2)cs1
InChIInChI=1S/C12H21N3S2/c1-10-14-12(9-17-10)7-15(2)5-3-11-8-16-6-4-13-11/h9,11,13H,3-8H2,1-2H3
InChIKeySJFLYTXAIDUFTO-UHFFFAOYSA-N
XLogP1.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine
CID 66422921
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 62214312
1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 114430985
5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol
CID 66055373
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421619
4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline
CID 66419959
3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine
CID 82397404
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973966
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603593
potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide
CID 63704903
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]but-2-ene-1,4-diamine
CID 77110787

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine (CID 66422771) is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine is Cc1nc(CN(C)CCC2CSCCN2)cs1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine?
The InChIKey is SJFLYTXAIDUFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S2/c1-10-14-12(9-17-10)7-15(2)5-3-11-8-16-6-4-13-11/h9,11,13H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine?
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine has a molecular weight of 271.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine is sourced from PubChem (CID 66422771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).