3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol

C8H13ClN2O2S — CID 106157701

IUPAC3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nc(Cl)cs1
InChIInChI=1S/C8H13ClN2O2S/c1-13-4-6(2-3-12)10-8-11-7(9)5-14-8/h5-6,12H,2-4H2,1H3,(H,10,11)
InChIKeyLSBYXINKAWWWSQ-UHFFFAOYSA-N
MW236.72 g/mol
LogP1.61
Rot. Bonds6

About 3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol

3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol (PubChem CID 106157701) has the molecular formula C8H13ClN2O2S and a molecular weight of 236.72 g/mol. Its IUPAC name is 3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol
PubChem CID106157701
Molecular FormulaC8H13ClN2O2S
Molecular Weight236.72 g/mol
Exact Mass236.04
IUPAC Name3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nc(Cl)cs1
InChIInChI=1S/C8H13ClN2O2S/c1-13-4-6(2-3-12)10-8-11-7(9)5-14-8/h5-6,12H,2-4H2,1H3,(H,10,11)
InChIKeyLSBYXINKAWWWSQ-UHFFFAOYSA-N
XLogP1.61
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol (CID 106157701) is 3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol is COCC(CCO)Nc1nc(Cl)cs1.
What is the InChIKey of 3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol?
The InChIKey is LSBYXINKAWWWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2S/c1-13-4-6(2-3-12)10-8-11-7(9)5-14-8/h5-6,12H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol?
3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol has a molecular weight of 236.72 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1,3-thiazol-2-yl)amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106157701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).