2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine

C17H22N2OS — CID 81140080

IUPAC2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine
SMILESCC(C)c1csc(C2(N)CC(C)(C)Oc3ccccc32)n1
InChIInChI=1S/C17H22N2OS/c1-11(2)13-9-21-15(19-13)17(18)10-16(3,4)20-14-8-6-5-7-12(14)17/h5-9,11H,10,18H2,1-4H3
InChIKeyWUTTYJWETSKXOE-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.03
Rot. Bonds2

About 2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine

2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine (PubChem CID 81140080) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine
PubChem CID81140080
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine
SMILESCC(C)c1csc(C2(N)CC(C)(C)Oc3ccccc32)n1
InChIInChI=1S/C17H22N2OS/c1-11(2)13-9-21-15(19-13)17(18)10-16(3,4)20-14-8-6-5-7-12(14)17/h5-9,11H,10,18H2,1-4H3
InChIKeyWUTTYJWETSKXOE-UHFFFAOYSA-N
XLogP4.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine with MolForge

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Related Compounds

3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine
CID 104524640
1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61332454
4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65086224
6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63632749
N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
CID 61331244
1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine
CID 54979966
[1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclobutyl]methanamine
CID 105464460
1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
CID 64542652
1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
CID 83703237
1-[2-(1-phenylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
CID 64544874
4-ethoxy-2,2-dimethyl-3H-chromene-4-carbonitrile
CID 81141966
2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one
CID 81142185

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine?
The IUPAC name of 2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine (CID 81140080) is 2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine?
The canonical SMILES for 2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine is CC(C)c1csc(C2(N)CC(C)(C)Oc3ccccc32)n1.
What is the InChIKey of 2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine?
The InChIKey is WUTTYJWETSKXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11(2)13-9-21-15(19-13)17(18)10-16(3,4)20-14-8-6-5-7-12(14)17/h5-9,11H,10,18H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine?
2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine has a molecular weight of 302.44 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine is sourced from PubChem (CID 81140080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).