(3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide

C11H13N3O3S2 — CID 125168450

IUPAC(3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H13N3O3S2/c15-10(8-1-4-19(16,17)7-8)12-5-9-6-14-2-3-18-11(14)13-9/h2-3,6,8H,1,4-5,7H2,(H,12,15)/t8-/m0/s1
InChIKeyBXEHFMXSROBIKN-QMMMGPOBSA-N
MW299.38 g/mol
LogP0.45
Rot. Bonds3

About (3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide

(3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 125168450) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is (3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID125168450
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC Name(3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H13N3O3S2/c15-10(8-1-4-19(16,17)7-8)12-5-9-6-14-2-3-18-11(14)13-9/h2-3,6,8H,1,4-5,7H2,(H,12,15)/t8-/m0/s1
InChIKeyBXEHFMXSROBIKN-QMMMGPOBSA-N
XLogP0.45
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine
CID 111142197
2-[(1,1-dioxothiolan-3-yl)-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]acetic acid
CID 115332428
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55560269
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122564815
3-cyclopropyl-3-hydroxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidine-1-carboxamide
CID 154799179
(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 26397010
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55585448
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 45247722
N-[(4-bromothiophen-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 47250589
2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid
CID 115332454
(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95727726
4-acetamido-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 134027726

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide (CID 125168450) is (3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide is O=C(NCc1cn2ccsc2n1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is BXEHFMXSROBIKN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c15-10(8-1-4-19(16,17)7-8)12-5-9-6-14-2-3-18-11(14)13-9/h2-3,6,8H,1,4-5,7H2,(H,12,15)/t8-/m0/s1.
What are the key properties of (3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide?
(3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 125168450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).