1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine

C16H20N4S — CID 43625921

IUPAC1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1cn2c(CNc3ccc(N(C)C)cc3)c(C)nc2s1
InChIInChI=1S/C16H20N4S/c1-11-10-20-15(12(2)18-16(20)21-11)9-17-13-5-7-14(8-6-13)19(3)4/h5-8,10,17H,9H2,1-4H3
InChIKeyLEFVPOGBIRFTCE-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.69
Rot. Bonds4

About 1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 43625921) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID43625921
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1cn2c(CNc3ccc(N(C)C)cc3)c(C)nc2s1
InChIInChI=1S/C16H20N4S/c1-11-10-20-15(12(2)18-16(20)21-11)9-17-13-5-7-14(8-6-13)19(3)4/h5-8,10,17H,9H2,1-4H3
InChIKeyLEFVPOGBIRFTCE-UHFFFAOYSA-N
XLogP3.69
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107619022
4-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methoxyaniline
CID 79480555
3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline
CID 63999868
2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 65467972
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79101097
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline
CID 60936482
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-methylpyrazol-3-amine
CID 60807858
2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43625869
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43625905
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909047
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethoxypyridin-3-amine
CID 43706476
N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
CID 122157324

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 43625921) is 1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is Cc1cn2c(CNc3ccc(N(C)C)cc3)c(C)nc2s1.
What is the InChIKey of 1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is LEFVPOGBIRFTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-11-10-20-15(12(2)18-16(20)21-11)9-17-13-5-7-14(8-6-13)19(3)4/h5-8,10,17H,9H2,1-4H3.
What are the key properties of 1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 300.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 43625921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).