(3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine

C14H18N2O3S2 — CID 36949347

IUPAC(3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine
SMILESCc1ccc(-c2nc(CN(C)[C@@H]3CCS(=O)(=O)C3)cs2)o1
InChIInChI=1S/C14H18N2O3S2/c1-10-3-4-13(19-10)14-15-11(8-20-14)7-16(2)12-5-6-21(17,18)9-12/h3-4,8,12H,5-7,9H2,1-2H3/t12-/m1/s1
InChIKeySZORMIISECUDKL-GFCCVEGCSA-N
MW326.44 g/mol
LogP2.33
Rot. Bonds4

About (3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine

(3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine (PubChem CID 36949347) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine
PubChem CID36949347
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name(3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine
SMILESCc1ccc(-c2nc(CN(C)[C@@H]3CCS(=O)(=O)C3)cs2)o1
InChIInChI=1S/C14H18N2O3S2/c1-10-3-4-13(19-10)14-15-11(8-20-14)7-16(2)12-5-6-21(17,18)9-12/h3-4,8,12H,5-7,9H2,1-2H3/t12-/m1/s1
InChIKeySZORMIISECUDKL-GFCCVEGCSA-N
XLogP2.33
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine with MolForge

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Related Compounds

(3S)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 94394020
N-[[2-butyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 72837551
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 43817865
2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 111113168
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine
CID 47145538
2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119195381
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 55073902
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol
CID 116889582
2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile
CID 47395660
(3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 99939311
N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 75682393

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of (3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine (CID 36949347) is (3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine is Cc1ccc(-c2nc(CN(C)[C@@H]3CCS(=O)(=O)C3)cs2)o1.
What is the InChIKey of (3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is SZORMIISECUDKL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-10-3-4-13(19-10)14-15-11(8-20-14)7-16(2)12-5-6-21(17,18)9-12/h3-4,8,12H,5-7,9H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine?
(3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 326.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 36949347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).