1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol

C16H20N2OS — CID 111382420

IUPAC1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
SMILESCc1ccc(-c2ncc(CNCC3(O)CCC3)s2)cc1
InChIInChI=1S/C16H20N2OS/c1-12-3-5-13(6-4-12)15-18-10-14(20-15)9-17-11-16(19)7-2-8-16/h3-6,10,17,19H,2,7-9,11H2,1H3
InChIKeyZCHCLVGUXBSVKM-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.12
Rot. Bonds5

About 1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol

1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol (PubChem CID 111382420) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
PubChem CID111382420
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
SMILESCc1ccc(-c2ncc(CNCC3(O)CCC3)s2)cc1
InChIInChI=1S/C16H20N2OS/c1-12-3-5-13(6-4-12)15-18-10-14(20-15)9-17-11-16(19)7-2-8-16/h3-6,10,17,19H,2,7-9,11H2,1H3
InChIKeyZCHCLVGUXBSVKM-UHFFFAOYSA-N
XLogP3.12
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol (CID 111382420) is 1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol is Cc1ccc(-c2ncc(CNCC3(O)CCC3)s2)cc1.
What is the InChIKey of 1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol?
The InChIKey is ZCHCLVGUXBSVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-3-5-13(6-4-12)15-18-10-14(20-15)9-17-11-16(19)7-2-8-16/h3-6,10,17,19H,2,7-9,11H2,1H3.
What are the key properties of 1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol?
1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol has a molecular weight of 288.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 111382420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).