[4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol

C12H19ClN2O2S — CID 80692503

IUPAC[4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCOCCN(c1nc(Cl)c(CO)s1)C(C)C1CC1
InChIInChI=1S/C12H19ClN2O2S/c1-8(9-3-4-9)15(5-6-17-2)12-14-11(13)10(7-16)18-12/h8-9,16H,3-7H2,1-2H3
InChIKeyAYPHAPBGIMMDMO-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.54
Rot. Bonds7

About [4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol

[4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 80692503) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is [4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID80692503
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name[4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCOCCN(c1nc(Cl)c(CO)s1)C(C)C1CC1
InChIInChI=1S/C12H19ClN2O2S/c1-8(9-3-4-9)15(5-6-17-2)12-14-11(13)10(7-16)18-12/h8-9,16H,3-7H2,1-2H3
InChIKeyAYPHAPBGIMMDMO-UHFFFAOYSA-N
XLogP2.54
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80692406
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423992
[4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 63918393
4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63918151
N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine
CID 62752730
4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 64545176
6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 55002940
5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80821177
[5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol
CID 114845469
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321205
2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80945319
2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 104527701

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol (CID 80692503) is [4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol is COCCN(c1nc(Cl)c(CO)s1)C(C)C1CC1.
What is the InChIKey of [4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is AYPHAPBGIMMDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-8(9-3-4-9)15(5-6-17-2)12-14-11(13)10(7-16)18-12/h8-9,16H,3-7H2,1-2H3.
What are the key properties of [4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 290.82 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).