methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate

C10H12N4O2S — CID 9075334

IUPACmethyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1c(C)nc2scc(C)n12
InChIInChI=1S/C10H12N4O2S/c1-6-5-17-9-12-7(2)8(14(6)9)4-11-13-10(15)16-3/h4-5H,1-3H3,(H,13,15)/b11-4-
InChIKeyPJCIVNIERZCQPD-WCIBSUBMSA-N
MW252.30 g/mol
LogP1.70
Rot. Bonds2

About methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate

methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate (PubChem CID 9075334) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate
PubChem CID9075334
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Namemethyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1c(C)nc2scc(C)n12
InChIInChI=1S/C10H12N4O2S/c1-6-5-17-9-12-7(2)8(14(6)9)4-11-13-10(15)16-3/h4-5H,1-3H3,(H,13,15)/b11-4-
InChIKeyPJCIVNIERZCQPD-WCIBSUBMSA-N
XLogP1.70
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide
CID 9175406
4-[(2Z)-2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid
CID 9012968
3,6-dimethyl-5-[(E)-2-nitrobut-1-enyl]imidazo[2,1-b][1,3]thiazole
CID 55016268
methyl 3-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-3-oxopropanoate
CID 53019399
3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione
CID 77040071
6-(methoxymethyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 107511744
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
methyl N-[(5-chlorothiophen-2-yl)methylideneamino]carbamate
CID 3254663
3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one
CID 40671399
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426
methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate
CID 135922579
methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate (CID 9075334) is methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate is COC(=O)N/N=C\c1c(C)nc2scc(C)n12.
What is the InChIKey of methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate?
The InChIKey is PJCIVNIERZCQPD-WCIBSUBMSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-6-5-17-9-12-7(2)8(14(6)9)4-11-13-10(15)16-3/h4-5H,1-3H3,(H,13,15)/b11-4-.
What are the key properties of methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate?
methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate has a molecular weight of 252.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate is sourced from PubChem (CID 9075334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).