2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol

C12H20N2OS — CID 82437541

IUPAC2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCN(C)Cc1nc(C2CC2)c(C(C)(C)O)s1
InChIInChI=1S/C12H20N2OS/c1-12(2,15)11-10(8-5-6-8)13-9(16-11)7-14(3)4/h8,15H,5-7H2,1-4H3
InChIKeyKTITXVWUUOGSQK-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.31
Rot. Bonds4

About 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol

2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82437541) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82437541
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCN(C)Cc1nc(C2CC2)c(C(C)(C)O)s1
InChIInChI=1S/C12H20N2OS/c1-12(2,15)11-10(8-5-6-8)13-9(16-11)7-14(3)4/h8,15H,5-7H2,1-4H3
InChIKeyKTITXVWUUOGSQK-UHFFFAOYSA-N
XLogP2.31
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol (CID 82437541) is 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol is CN(C)Cc1nc(C2CC2)c(C(C)(C)O)s1.
What is the InChIKey of 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is KTITXVWUUOGSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-12(2,15)11-10(8-5-6-8)13-9(16-11)7-14(3)4/h8,15H,5-7H2,1-4H3.
What are the key properties of 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol?
2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 240.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82437541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).