1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol

C14H20N2O2S2 — CID 111427544

IUPAC1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1csc(CN(C)CC(O)COCc2cccs2)n1
InChIInChI=1S/C14H20N2O2S2/c1-11-10-20-14(15-11)7-16(2)6-12(17)8-18-9-13-4-3-5-19-13/h3-5,10,12,17H,6-9H2,1-2H3
InChIKeyMLWJDYARBBQFMG-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.52
Rot. Bonds8

About 1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol

1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 111427544) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID111427544
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC Name1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1csc(CN(C)CC(O)COCc2cccs2)n1
InChIInChI=1S/C14H20N2O2S2/c1-11-10-20-14(15-11)7-16(2)6-12(17)8-18-9-13-4-3-5-19-13/h3-5,10,12,17H,6-9H2,1-2H3
InChIKeyMLWJDYARBBQFMG-UHFFFAOYSA-N
XLogP2.52
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

1-[(4-bromophenyl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 86976023
(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 26007241
1-[(3-methoxyphenyl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 17471420
(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
1-[1-cyclopropylethyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110884814
1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 3962656
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54903426
1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 111490299
1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 3490148
1-methoxy-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propan-2-ol
CID 62015754
1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 54914081
4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide
CID 78827659

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 111427544) is 1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol is Cc1csc(CN(C)CC(O)COCc2cccs2)n1.
What is the InChIKey of 1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is MLWJDYARBBQFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c1-11-10-20-14(15-11)7-16(2)6-12(17)8-18-9-13-4-3-5-19-13/h3-5,10,12,17H,6-9H2,1-2H3.
What are the key properties of 1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 312.46 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 111427544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).