2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine

C15H18N2OS — CID 80710353

IUPAC2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(NCc2nccs2)c2ccccc2O1
InChIInChI=1S/C15H18N2OS/c1-15(2)9-12(17-10-14-16-7-8-19-14)11-5-3-4-6-13(11)18-15/h3-8,12,17H,9-10H2,1-2H3
InChIKeyCWBAJSIXGLFHKX-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.54
Rot. Bonds3

About 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine

2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine (PubChem CID 80710353) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine
PubChem CID80710353
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(NCc2nccs2)c2ccccc2O1
InChIInChI=1S/C15H18N2OS/c1-15(2)9-12(17-10-14-16-7-8-19-14)11-5-3-4-6-13(11)18-15/h3-8,12,17H,9-10H2,1-2H3
InChIKeyCWBAJSIXGLFHKX-UHFFFAOYSA-N
XLogP3.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine
CID 114955052
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 106368879
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115728687
ethyl 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetate
CID 81136675
2,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 81141012
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide
CID 115712626
methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propanoate
CID 81137020
2,2-dimethyl-N-[(1-propan-2-yltriazol-4-yl)methyl]-3,4-dihydrochromen-4-amine
CID 126804261
N-(2-imidazol-1-ylethyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81136589
N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
CID 81142613
N-(1,4-dithian-2-ylmethyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115727364

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine (CID 80710353) is 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine is CC1(C)CC(NCc2nccs2)c2ccccc2O1.
What is the InChIKey of 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine?
The InChIKey is CWBAJSIXGLFHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-15(2)9-12(17-10-14-16-7-8-19-14)11-5-3-4-6-13(11)18-15/h3-8,12,17H,9-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine?
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine has a molecular weight of 274.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 80710353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).