N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine

C16H20N2OS2 — CID 62542274

IUPACN-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
SMILESCOCCNC1(c2nc(C)cs2)CCSc2ccccc21
InChIInChI=1S/C16H20N2OS2/c1-12-11-21-15(18-12)16(17-8-9-19-2)7-10-20-14-6-4-3-5-13(14)16/h3-6,11,17H,7-10H2,1-2H3
InChIKeyPNTCOYKHVIUTTL-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.43
Rot. Bonds5

About N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine

N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine (PubChem CID 62542274) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
PubChem CID62542274
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC NameN-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
SMILESCOCCNC1(c2nc(C)cs2)CCSc2ccccc21
InChIInChI=1S/C16H20N2OS2/c1-12-11-21-15(18-12)16(17-8-9-19-2)7-10-20-14-6-4-3-5-13(14)16/h3-6,11,17H,7-10H2,1-2H3
InChIKeyPNTCOYKHVIUTTL-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
CID 61331244
N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 65050193
N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 64751515
N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
CID 65074914
N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79235672
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine
CID 61331971
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 62540339
N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine
CID 114819099
N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine
CID 61335833
4-bromo-4-ethyl-2,3-dihydrothiochromene
CID 172717703
N-cyclopropyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine
CID 115419524
N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 62544746

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine (CID 62542274) is N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine is COCCNC1(c2nc(C)cs2)CCSc2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine?
The InChIKey is PNTCOYKHVIUTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-12-11-21-15(18-12)16(17-8-9-19-2)7-10-20-14-6-4-3-5-13(14)16/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine?
N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine has a molecular weight of 320.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine is sourced from PubChem (CID 62542274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).