N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

C14H16N2S2 — CID 60777086

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1ncc(CNC2CCSc3ccccc32)s1
InChIInChI=1S/C14H16N2S2/c1-10-15-8-11(18-10)9-16-13-6-7-17-14-5-3-2-4-12(13)14/h2-5,8,13,16H,6-7,9H2,1H3
InChIKeyZMLYBMACBPPQOD-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.78
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 60777086) has the molecular formula C14H16N2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID60777086
Molecular FormulaC14H16N2S2
Molecular Weight276.43 g/mol
Exact Mass276.08
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1ncc(CNC2CCSc3ccccc32)s1
InChIInChI=1S/C14H16N2S2/c1-10-15-8-11(18-10)9-16-13-6-7-17-14-5-3-2-4-12(13)14/h2-5,8,13,16H,6-7,9H2,1H3
InChIKeyZMLYBMACBPPQOD-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 62741615
(4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 97232856
N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63001794
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981792
N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43231634
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113349402
N-[(2,3-dimethylphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 60657819
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43740247
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43178084
N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 53498613
N-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 66130924
N-[(2-aminophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 66417077

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 60777086) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is Cc1ncc(CNC2CCSc3ccccc32)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is ZMLYBMACBPPQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S2/c1-10-15-8-11(18-10)9-16-13-6-7-17-14-5-3-2-4-12(13)14/h2-5,8,13,16H,6-7,9H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 60777086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).