3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol

C10H17ClN2OS — CID 79764333

IUPAC3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)Cc1cnc(Cl)s1
InChIInChI=1S/C10H17ClN2OS/c1-8(2)13(4-3-5-14)7-9-6-12-10(11)15-9/h6,8,14H,3-5,7H2,1-2H3
InChIKeyHLFXQOWDLPDDFS-UHFFFAOYSA-N
MW248.78 g/mol
LogP2.39
Rot. Bonds6

About 3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol

3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol (PubChem CID 79764333) has the molecular formula C10H17ClN2OS and a molecular weight of 248.78 g/mol. Its IUPAC name is 3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol
PubChem CID79764333
Molecular FormulaC10H17ClN2OS
Molecular Weight248.78 g/mol
Exact Mass248.08
IUPAC Name3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)Cc1cnc(Cl)s1
InChIInChI=1S/C10H17ClN2OS/c1-8(2)13(4-3-5-14)7-9-6-12-10(11)15-9/h6,8,14H,3-5,7H2,1-2H3
InChIKeyHLFXQOWDLPDDFS-UHFFFAOYSA-N
XLogP2.39
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.78
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol (CID 79764333) is 3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)Cc1cnc(Cl)s1.
What is the InChIKey of 3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol?
The InChIKey is HLFXQOWDLPDDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2OS/c1-8(2)13(4-3-5-14)7-9-6-12-10(11)15-9/h6,8,14H,3-5,7H2,1-2H3.
What are the key properties of 3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol?
3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol has a molecular weight of 248.78 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 79764333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).