[2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol

C14H18N2O2S — CID 107510960

IUPAC[2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(N(C)c2ccc(C)cc2)sc1CO
InChIInChI=1S/C14H18N2O2S/c1-10-4-6-11(7-5-10)16(2)14-15-12(9-18-3)13(8-17)19-14/h4-7,17H,8-9H2,1-3H3
InChIKeyPKCAJFFUGNEOFU-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.86
Rot. Bonds5

About [2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol

[2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 107510960) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is [2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
PubChem CID107510960
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name[2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(N(C)c2ccc(C)cc2)sc1CO
InChIInChI=1S/C14H18N2O2S/c1-10-4-6-11(7-5-10)16(2)14-15-12(9-18-3)13(8-17)19-14/h4-7,17H,8-9H2,1-3H3
InChIKeyPKCAJFFUGNEOFU-UHFFFAOYSA-N
XLogP2.86
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methoxymethyl)-2-[methyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 107510871
[2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol
CID 62780694
[2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511017
[4-(methoxymethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 107510918
[4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 107510895
4-chloro-5-(chloromethyl)-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 80687857
[2-[(3-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510880
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 62768224
[2-[cyclohexyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510864
[2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511117
[4-(methoxymethyl)-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440408
[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440580

Frequently Asked Questions

What is the IUPAC name of [2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (CID 107510960) is [2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is COCc1nc(N(C)c2ccc(C)cc2)sc1CO.
What is the InChIKey of [2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is PKCAJFFUGNEOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-4-6-11(7-5-10)16(2)14-15-12(9-18-3)13(8-17)19-14/h4-7,17H,8-9H2,1-3H3.
What are the key properties of [2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
[2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 278.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 107510960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).