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

C12H21ClN2O2S — CID 80692406

IUPAC[4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCC(CC)N(CCOC)c1nc(Cl)c(CO)s1
InChIInChI=1S/C12H21ClN2O2S/c1-4-9(5-2)15(6-7-17-3)12-14-11(13)10(8-16)18-12/h9,16H,4-8H2,1-3H3
InChIKeyDZCJNAJDNPBBAZ-UHFFFAOYSA-N
MW292.83 g/mol
LogP2.93
Rot. Bonds8

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

[4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 80692406) has the molecular formula C12H21ClN2O2S and a molecular weight of 292.83 g/mol. Its IUPAC name is [4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID80692406
Molecular FormulaC12H21ClN2O2S
Molecular Weight292.83 g/mol
Exact Mass292.10
IUPAC Name[4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCC(CC)N(CCOC)c1nc(Cl)c(CO)s1
InChIInChI=1S/C12H21ClN2O2S/c1-4-9(5-2)15(6-7-17-3)12-14-11(13)10(8-16)18-12/h9,16H,4-8H2,1-3H3
InChIKeyDZCJNAJDNPBBAZ-UHFFFAOYSA-N
XLogP2.93
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol (CID 80692406) is [4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol is CCC(CC)N(CCOC)c1nc(Cl)c(CO)s1.
What is the InChIKey of [4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is DZCJNAJDNPBBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O2S/c1-4-9(5-2)15(6-7-17-3)12-14-11(13)10(8-16)18-12/h9,16H,4-8H2,1-3H3.
What are the key properties of [4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 292.83 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).