2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol

C10H18N2O2S — CID 107866338

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(C)c(C)s1
InChIInChI=1S/C10H18N2O2S/c1-4-10(5-13,6-14)12-9-11-7(2)8(3)15-9/h13-14H,4-6H2,1-3H3,(H,11,12)
InChIKeyVKZDLYYAPPVPKQ-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.31
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol

2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol (PubChem CID 107866338) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol
PubChem CID107866338
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(C)c(C)s1
InChIInChI=1S/C10H18N2O2S/c1-4-10(5-13,6-14)12-9-11-7(2)8(3)15-9/h13-14H,4-6H2,1-3H3,(H,11,12)
InChIKeyVKZDLYYAPPVPKQ-UHFFFAOYSA-N
XLogP1.31
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol with MolForge

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Related Compounds

methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113307209
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530022
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol
CID 107866212
2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol
CID 107866128
2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide
CID 115432443
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107866488
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79799267
2-carbamothioyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylbutanamide
CID 113270546
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 79801430
2-[1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114749702
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol (CID 107866338) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)Nc1nc(C)c(C)s1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is VKZDLYYAPPVPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-4-10(5-13,6-14)12-9-11-7(2)8(3)15-9/h13-14H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 230.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107866338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).