N-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine

C15H16N2OS — CID 81136483

IUPACN-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine
SMILESCC1(C)Oc2ccccc2-c2nc(NC3CC3)sc21
InChIInChI=1S/C15H16N2OS/c1-15(2)13-12(10-5-3-4-6-11(10)18-15)17-14(19-13)16-9-7-8-9/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyAYQJOKVFJGKQBG-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.01
Rot. Bonds2

About N-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine

N-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine (PubChem CID 81136483) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine
PubChem CID81136483
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine
SMILESCC1(C)Oc2ccccc2-c2nc(NC3CC3)sc21
InChIInChI=1S/C15H16N2OS/c1-15(2)13-12(10-5-3-4-6-11(10)18-15)17-14(19-13)16-9-7-8-9/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyAYQJOKVFJGKQBG-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine?
The IUPAC name of N-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine (CID 81136483) is N-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine is CC1(C)Oc2ccccc2-c2nc(NC3CC3)sc21.
What is the InChIKey of N-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine?
The InChIKey is AYQJOKVFJGKQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-15(2)13-12(10-5-3-4-6-11(10)18-15)17-14(19-13)16-9-7-8-9/h3-6,9H,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine?
N-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine has a molecular weight of 272.37 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-amine is sourced from PubChem (CID 81136483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).