5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine

C12H23N3O2S — CID 62768247

IUPAC5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCOCCN(c1nc(C)c(CN)s1)C(C)COC
InChIInChI=1S/C12H23N3O2S/c1-9(8-17-4)15(5-6-16-3)12-14-10(2)11(7-13)18-12/h9H,5-8,13H2,1-4H3
InChIKeyKDOVSMMGLOJIIV-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.40
Rot. Bonds8

About 5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 62768247) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID62768247
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCOCCN(c1nc(C)c(CN)s1)C(C)COC
InChIInChI=1S/C12H23N3O2S/c1-9(8-17-4)15(5-6-16-3)12-14-10(2)11(7-13)18-12/h9H,5-8,13H2,1-4H3
InChIKeyKDOVSMMGLOJIIV-UHFFFAOYSA-N
XLogP1.40
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 82965903
[4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 63918393
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 62766894
2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62764206
5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 107509657
5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine
CID 107509729
4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 63916238
methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575730
5-(aminomethyl)-N,4-dimethyl-N-pentyl-1,3-thiazol-2-amine
CID 62768133
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62752566
5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine
CID 107510117
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-methylpyridine-2,5-diamine
CID 79175638

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine (CID 62768247) is 5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine is COCCN(c1nc(C)c(CN)s1)C(C)COC.
What is the InChIKey of 5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is KDOVSMMGLOJIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-9(8-17-4)15(5-6-16-3)12-14-10(2)11(7-13)18-12/h9H,5-8,13H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 273.40 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62768247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).