N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine

C12H12BrN3S — CID 2787959

IUPACN-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NN=Cc2cccc(Br)c2)sc1C
InChIInChI=1S/C12H12BrN3S/c1-8-9(2)17-12(15-8)16-14-7-10-4-3-5-11(13)6-10/h3-7H,1-2H3,(H,15,16)
InChIKeyYJJNORSGBLZXAM-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.97
Rot. Bonds3

About N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine

N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 2787959) has the molecular formula C12H12BrN3S and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID2787959
Molecular FormulaC12H12BrN3S
Molecular Weight310.22 g/mol
Exact Mass308.99
IUPAC NameN-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NN=Cc2cccc(Br)c2)sc1C
InChIInChI=1S/C12H12BrN3S/c1-8-9(2)17-12(15-8)16-14-7-10-4-3-5-11(13)6-10/h3-7H,1-2H3,(H,15,16)
InChIKeyYJJNORSGBLZXAM-UHFFFAOYSA-N
XLogP3.97
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 27277699
2-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135588614
N-[(2-chlorophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 4074619
N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110537631
4-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 139030148
N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110534352
methyl 4-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 5341566
3-N-[(E)-(3-bromophenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine
CID 45042743
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110533418
4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 110538404
N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110532594
[4-[(Z)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 2,6-difluorobenzoate
CID 126024607

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (CID 2787959) is N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NN=Cc2cccc(Br)c2)sc1C.
What is the InChIKey of N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is YJJNORSGBLZXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3S/c1-8-9(2)17-12(15-8)16-14-7-10-4-3-5-11(13)6-10/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 310.22 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2787959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).