4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide

C12H13N5OS — CID 168626559

IUPAC4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C=NNc2nc(N)cs2)cc1
InChIInChI=1S/C12H13N5OS/c1-14-11(18)9-4-2-8(3-5-9)6-15-17-12-16-10(13)7-19-12/h2-7H,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyMRGOLUPHQYWPKA-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.53
Rot. Bonds4

About 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide

4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide (PubChem CID 168626559) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide
PubChem CID168626559
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C=NNc2nc(N)cs2)cc1
InChIInChI=1S/C12H13N5OS/c1-14-11(18)9-4-2-8(3-5-9)6-15-17-12-16-10(13)7-19-12/h2-7H,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyMRGOLUPHQYWPKA-UHFFFAOYSA-N
XLogP1.53
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.53
H-Bond Donors ≤ 53
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

4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168625512
methyl 2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-2-phenylacetate
CID 168628086
2-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625820
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668
5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168625822
methyl 3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methylbenzoate
CID 168627986
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol
CID 168625614
2-N-[[4-(5-methylfuran-2-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628070
[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 168627267
N-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenyl]acetamide
CID 168628252
2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625847
2-N-[(2,3,4,5,6-pentamethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626305

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide (CID 168626559) is 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide is CNC(=O)c1ccc(C=NNc2nc(N)cs2)cc1.
What is the InChIKey of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide?
The InChIKey is MRGOLUPHQYWPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-14-11(18)9-4-2-8(3-5-9)6-15-17-12-16-10(13)7-19-12/h2-7H,13H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide?
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide has a molecular weight of 275.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide is sourced from PubChem (CID 168626559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).