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

C8H11ClN2OS — CID 130678424

IUPAC2-[(2-chloro-1,3-thiazol-4-yl)amino]-1-cyclopropylethanol
SMILESOC(CNc1csc(Cl)n1)C1CC1
InChIInChI=1S/C8H11ClN2OS/c9-8-11-7(4-13-8)10-3-6(12)5-1-2-5/h4-6,10,12H,1-3H2
InChIKeyWVXFWQRCIAXFFS-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.98
Rot. Bonds4

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

2-[(2-chloro-1,3-thiazol-4-yl)amino]-1-cyclopropylethanol (PubChem CID 130678424) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-4-yl)amino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-4-yl)amino]-1-cyclopropylethanol
PubChem CID130678424
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name2-[(2-chloro-1,3-thiazol-4-yl)amino]-1-cyclopropylethanol
SMILESOC(CNc1csc(Cl)n1)C1CC1
InChIInChI=1S/C8H11ClN2OS/c9-8-11-7(4-13-8)10-3-6(12)5-1-2-5/h4-6,10,12H,1-3H2
InChIKeyWVXFWQRCIAXFFS-UHFFFAOYSA-N
XLogP1.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-4-yl)amino]-1-cyclopropylethanol?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-4-yl)amino]-1-cyclopropylethanol (CID 130678424) is 2-[(2-chloro-1,3-thiazol-4-yl)amino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-4-yl)amino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-4-yl)amino]-1-cyclopropylethanol is OC(CNc1csc(Cl)n1)C1CC1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-4-yl)amino]-1-cyclopropylethanol?
The InChIKey is WVXFWQRCIAXFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c9-8-11-7(4-13-8)10-3-6(12)5-1-2-5/h4-6,10,12H,1-3H2.
What are the key properties of 2-[(2-chloro-1,3-thiazol-4-yl)amino]-1-cyclopropylethanol?
2-[(2-chloro-1,3-thiazol-4-yl)amino]-1-cyclopropylethanol has a molecular weight of 218.71 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-4-yl)amino]-1-cyclopropylethanol is sourced from PubChem (CID 130678424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).