cyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine

C16H18N2OS — CID 81139716

IUPACcyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine
SMILESCC1(C)Oc2ccccc2-c2nc(C(N)C3CC3)sc21
InChIInChI=1S/C16H18N2OS/c1-16(2)14-13(10-5-3-4-6-11(10)19-16)18-15(20-14)12(17)9-7-8-9/h3-6,9,12H,7-8,17H2,1-2H3
InChIKeyLWATWDVMMMJPKZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.85
Rot. Bonds2

About cyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine

cyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine (PubChem CID 81139716) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is cyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine
PubChem CID81139716
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Namecyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine
SMILESCC1(C)Oc2ccccc2-c2nc(C(N)C3CC3)sc21
InChIInChI=1S/C16H18N2OS/c1-16(2)14-13(10-5-3-4-6-11(10)19-16)18-15(20-14)12(17)9-7-8-9/h3-6,9,12H,7-8,17H2,1-2H3
InChIKeyLWATWDVMMMJPKZ-UHFFFAOYSA-N
XLogP3.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine?
The IUPAC name of cyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine (CID 81139716) is cyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine.
What is the SMILES notation for cyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine?
The canonical SMILES for cyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine is CC1(C)Oc2ccccc2-c2nc(C(N)C3CC3)sc21.
What is the InChIKey of cyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine?
The InChIKey is LWATWDVMMMJPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-16(2)14-13(10-5-3-4-6-11(10)19-16)18-15(20-14)12(17)9-7-8-9/h3-6,9,12H,7-8,17H2,1-2H3.
What are the key properties of cyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine?
cyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine has a molecular weight of 286.40 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine is sourced from PubChem (CID 81139716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).