2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine

C13H23N3S2 — CID 62766049

IUPAC2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCc1nc(N2CCSCC2)sc1CNCC(C)C
InChIInChI=1S/C13H23N3S2/c1-10(2)8-14-9-12-11(3)15-13(18-12)16-4-6-17-7-5-16/h10,14H,4-9H2,1-3H3
InChIKeyIXUCYKWMHKWMCJ-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.75
Rot. Bonds5

About 2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine

2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 62766049) has the molecular formula C13H23N3S2 and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID62766049
Molecular FormulaC13H23N3S2
Molecular Weight285.48 g/mol
Exact Mass285.13
IUPAC Name2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCc1nc(N2CCSCC2)sc1CNCC(C)C
InChIInChI=1S/C13H23N3S2/c1-10(2)8-14-9-12-11(3)15-13(18-12)16-4-6-17-7-5-16/h10,14H,4-9H2,1-3H3
InChIKeyIXUCYKWMHKWMCJ-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62766220
N-methyl-1-(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine
CID 62766044
2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 66369862
N-[[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62767244
N-methyl-1-[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 62769315
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 79935765
N-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62767813
2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967795
N-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62769119
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 46785724
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79381275
[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol
CID 62779519

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 62766049) is 2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is Cc1nc(N2CCSCC2)sc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is IXUCYKWMHKWMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S2/c1-10(2)8-14-9-12-11(3)15-13(18-12)16-4-6-17-7-5-16/h10,14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 62766049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).