1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine

C15H22N4OS — CID 43665272

IUPAC1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOc1nc(N(C)C)sc1CNc1ccc(N(C)C)cc1
InChIInChI=1S/C15H22N4OS/c1-18(2)12-8-6-11(7-9-12)16-10-13-14(20-5)17-15(21-13)19(3)4/h6-9,16H,10H2,1-5H3
InChIKeyJOFAZQXUWJMFJE-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.90
Rot. Bonds6

About 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 43665272) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID43665272
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOc1nc(N(C)C)sc1CNc1ccc(N(C)C)cc1
InChIInChI=1S/C15H22N4OS/c1-18(2)12-8-6-11(7-9-12)16-10-13-14(20-5)17-15(21-13)19(3)4/h6-9,16H,10H2,1-5H3
InChIKeyJOFAZQXUWJMFJE-UHFFFAOYSA-N
XLogP2.90
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665074
5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 79055525
5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665100
5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43690083
5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 62915754
5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 82710285
4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine
CID 81351809
4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43665108
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79358881
5-[[(2-fluorophenyl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43433376
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 64569644

Frequently Asked Questions

What is the IUPAC name of 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 43665272) is 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is COc1nc(N(C)C)sc1CNc1ccc(N(C)C)cc1.
What is the InChIKey of 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is JOFAZQXUWJMFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-18(2)12-8-6-11(7-9-12)16-10-13-14(20-5)17-15(21-13)19(3)4/h6-9,16H,10H2,1-5H3.
What are the key properties of 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 306.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 43665272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).