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

C15H18N2S2 — CID 97232856

IUPAC(4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1cnc(CCN[C@H]2CCSc3ccccc32)s1
InChIInChI=1S/C15H18N2S2/c1-11-10-17-15(19-11)6-8-16-13-7-9-18-14-5-3-2-4-12(13)14/h2-5,10,13,16H,6-9H2,1H3/t13-/m0/s1
InChIKeyNPNPQKKMYFUYJI-ZDUSSCGKSA-N
MW290.46 g/mol
LogP3.82
Rot. Bonds4

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

(4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 97232856) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is (4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name(4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID97232856
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC Name(4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1cnc(CCN[C@H]2CCSc3ccccc32)s1
InChIInChI=1S/C15H18N2S2/c1-11-10-17-15(19-11)6-8-16-13-7-9-18-14-5-3-2-4-12(13)14/h2-5,10,13,16H,6-9H2,1H3/t13-/m0/s1
InChIKeyNPNPQKKMYFUYJI-ZDUSSCGKSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-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
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 60777086
N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 104629142
N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103775877
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-methylpropanenitrile
CID 60658495
N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63001794
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol
CID 103787915
N-[2-(4-methoxyphenoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 112800989
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 64548240
N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 53498613
N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740196
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113349402

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of (4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 97232856) is (4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for (4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for (4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is Cc1cnc(CCN[C@H]2CCSc3ccccc32)s1.
What is the InChIKey of (4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is NPNPQKKMYFUYJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-11-10-17-15(19-11)6-8-16-13-7-9-18-14-5-3-2-4-12(13)14/h2-5,10,13,16H,6-9H2,1H3/t13-/m0/s1.
What are the key properties of (4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
(4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 290.46 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 97232856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).