3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine

C14H14N4S — CID 135676704

IUPAC3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(C)n1N=Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H14N4S/c1-10-9-19-14(15-2)18(10)17-8-11-7-16-13-6-4-3-5-12(11)13/h3-9,16H,1-2H3/b15-14-,17-8?
InChIKeyANMXYQYOQPFEFM-HAKNRFHJSA-N
MW270.36 g/mol
LogP2.75
Rot. Bonds2

About 3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine

3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine (PubChem CID 135676704) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine
PubChem CID135676704
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(C)n1N=Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H14N4S/c1-10-9-19-14(15-2)18(10)17-8-11-7-16-13-6-4-3-5-12(11)13/h3-9,16H,1-2H3/b15-14-,17-8?
InChIKeyANMXYQYOQPFEFM-HAKNRFHJSA-N
XLogP2.75
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine
CID 135558233
3-[(5-bromo-1H-indol-3-yl)methylideneamino]-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine
CID 135849959
N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 2457721
4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]benzene-1,2,3-triol
CID 2393563
3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 135799806
4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2481548
3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 135778600
N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 135799678
4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 2455890
N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135573853
4-(1-benzofuran-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 135843302
4-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine
CID 135593082

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine?
The IUPAC name of 3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine (CID 135676704) is 3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine is C/N=c1\scc(C)n1N=Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine?
The InChIKey is ANMXYQYOQPFEFM-HAKNRFHJSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10-9-19-14(15-2)18(10)17-8-11-7-16-13-6-4-3-5-12(11)13/h3-9,16H,1-2H3/b15-14-,17-8?.
What are the key properties of 3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine?
3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine has a molecular weight of 270.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine is sourced from PubChem (CID 135676704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).