1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide

C15H18BrN5S2 — CID 2877428

IUPAC1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide
SMILESBr.Cc1nc(N)sc1-c1csc(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C15H17N5S2.BrH/c1-9-13(22-14(16)17-9)12-8-21-15(19-12)18-10-4-6-11(7-5-10)20(2)3;/h4-8H,1-3H3,(H2,16,17)(H,18,19);1H
InChIKeyUTZXXICWYFECHZ-UHFFFAOYSA-N
MW412.38 g/mol
LogP4.54
Rot. Bonds4

About 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide

1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide (PubChem CID 2877428) has the molecular formula C15H18BrN5S2 and a molecular weight of 412.38 g/mol. Its IUPAC name is 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide.

Molecular Properties

Compound Name1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide
PubChem CID2877428
Molecular FormulaC15H18BrN5S2
Molecular Weight412.38 g/mol
Exact Mass411.02
IUPAC Name1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide
SMILESBr.Cc1nc(N)sc1-c1csc(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C15H17N5S2.BrH/c1-9-13(22-14(16)17-9)12-8-21-15(19-12)18-10-4-6-11(7-5-10)20(2)3;/h4-8H,1-3H3,(H2,16,17)(H,18,19);1H
InChIKeyUTZXXICWYFECHZ-UHFFFAOYSA-N
XLogP4.54
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol
CID 2866860
3-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-chloro-1-N,1-N-dimethylbenzene-1,3-diamine
CID 46904983
3-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-chloro-1-N,1-N-dimethylbenzene-1,3-diamine;hydrochloride
CID 90661526
2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine
CID 143561890
4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 2867228
4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 2867135
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide
CID 5344942
N-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide
CID 2877527
4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide
CID 122509686
1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 53338296
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 2958770
4-N,4-N-dimethyl-1-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1068714

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide?
The IUPAC name of 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide (CID 2877428) is 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide.
What is the SMILES notation for 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide?
The canonical SMILES for 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide is Br.Cc1nc(N)sc1-c1csc(Nc2ccc(N(C)C)cc2)n1.
What is the InChIKey of 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide?
The InChIKey is UTZXXICWYFECHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S2.BrH/c1-9-13(22-14(16)17-9)12-8-21-15(19-12)18-10-4-6-11(7-5-10)20(2)3;/h4-8H,1-3H3,(H2,16,17)(H,18,19);1H.
What are the key properties of 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide?
1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide has a molecular weight of 412.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide is sourced from PubChem (CID 2877428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).