[4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol

C11H18ClN3OS — CID 81474876

IUPAC[4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESCC1CN(c2nc(Cl)c(CO)s2)CC1N(C)C
InChIInChI=1S/C11H18ClN3OS/c1-7-4-15(5-8(7)14(2)3)11-13-10(12)9(6-16)17-11/h7-8,16H,4-6H2,1-3H3
InChIKeyMVVVGULHGYJWTE-UHFFFAOYSA-N
MW275.81 g/mol
LogP1.68
Rot. Bonds3

About [4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol

[4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol (PubChem CID 81474876) has the molecular formula C11H18ClN3OS and a molecular weight of 275.81 g/mol. Its IUPAC name is [4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
PubChem CID81474876
Molecular FormulaC11H18ClN3OS
Molecular Weight275.81 g/mol
Exact Mass275.09
IUPAC Name[4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESCC1CN(c2nc(Cl)c(CO)s2)CC1N(C)C
InChIInChI=1S/C11H18ClN3OS/c1-7-4-15(5-8(7)14(2)3)11-13-10(12)9(6-16)17-11/h7-8,16H,4-6H2,1-3H3
InChIKeyMVVVGULHGYJWTE-UHFFFAOYSA-N
XLogP1.68
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol (CID 81474876) is [4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol is CC1CN(c2nc(Cl)c(CO)s2)CC1N(C)C.
What is the InChIKey of [4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol?
The InChIKey is MVVVGULHGYJWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3OS/c1-7-4-15(5-8(7)14(2)3)11-13-10(12)9(6-16)17-11/h7-8,16H,4-6H2,1-3H3.
What are the key properties of [4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol has a molecular weight of 275.81 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 81474876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).