N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine

C14H16N2OS2 — CID 64647841

IUPACN-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccccc2OCC1Sc1nc(C)cs1
InChIInChI=1S/C14H16N2OS2/c1-9-8-18-14(16-9)19-12-7-17-11-6-4-3-5-10(11)13(12)15-2/h3-6,8,12-13,15H,7H2,1-2H3
InChIKeyRDROGTIWGXISQR-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.27
Rot. Bonds3

About N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine

N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 64647841) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID64647841
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC NameN-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccccc2OCC1Sc1nc(C)cs1
InChIInChI=1S/C14H16N2OS2/c1-9-8-18-14(16-9)19-12-7-17-11-6-4-3-5-10(11)13(12)15-2/h3-6,8,12-13,15H,7H2,1-2H3
InChIKeyRDROGTIWGXISQR-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethylphenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64650328
3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64629232
7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237018
3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64615385
1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 79226667
3-(3-methoxypropylsulfanyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64628268
trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol
CID 102735669
(3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol
CID 126847695
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 29440268
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 64650383
3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446113
3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64657748

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine (CID 64647841) is N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine is CNC1c2ccccc2OCC1Sc1nc(C)cs1.
What is the InChIKey of N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RDROGTIWGXISQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-9-8-18-14(16-9)19-12-7-17-11-6-4-3-5-10(11)13(12)15-2/h3-6,8,12-13,15H,7H2,1-2H3.
What are the key properties of N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine?
N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 292.43 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 64647841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).