1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione

C16H18N4O3S2 — CID 110221820

IUPAC1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(CNC(Cc2ccsc2)c2nccs2)C(=O)N(C)C1=O
InChIInChI=1S/C16H18N4O3S2/c1-19-14(21)11(15(22)20(2)16(19)23)8-18-12(13-17-4-6-25-13)7-10-3-5-24-9-10/h3-6,9,11-12,18H,7-8H2,1-2H3
InChIKeyLAAKCRLMZTWDKD-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.74
Rot. Bonds6

About 1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 110221820) has the molecular formula C16H18N4O3S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione
PubChem CID110221820
Molecular FormulaC16H18N4O3S2
Molecular Weight378.48 g/mol
Exact Mass378.08
IUPAC Name1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(CNC(Cc2ccsc2)c2nccs2)C(=O)N(C)C1=O
InChIInChI=1S/C16H18N4O3S2/c1-19-14(21)11(15(22)20(2)16(19)23)8-18-12(13-17-4-6-25-13)7-10-3-5-24-9-10/h3-6,9,11-12,18H,7-8H2,1-2H3
InChIKeyLAAKCRLMZTWDKD-UHFFFAOYSA-N
XLogP1.74
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione 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

(2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 92582018
(1S)-N-[(2-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 92602063
N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 110221814
N-[(3-methyl-1H-indol-2-yl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 46966583
(1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 92600697
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51595966
1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol
CID 67759146
N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine;hydrochloride
CID 118741846
N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 64990673
4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide
CID 92565850
5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide
CID 110221887
(1S)-N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51597033

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione (CID 110221820) is 1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione is CN1C(=O)C(CNC(Cc2ccsc2)c2nccs2)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is LAAKCRLMZTWDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S2/c1-19-14(21)11(15(22)20(2)16(19)23)8-18-12(13-17-4-6-25-13)7-10-3-5-24-9-10/h3-6,9,11-12,18H,7-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 378.48 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 110221820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).