N-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine

C22H25N5S — CID 139826141

IUPACN-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine
SMILESCC(C(c1ccc(Nc2nc3ccccc3s2)cc1)c1cncn1C)N(C)C
InChIInChI=1S/C22H25N5S/c1-15(26(2)3)21(19-13-23-14-27(19)4)16-9-11-17(12-10-16)24-22-25-18-7-5-6-8-20(18)28-22/h5-15,21H,1-4H3,(H,24,25)
InChIKeyQUWPYQZFVSRBFN-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.86
Rot. Bonds6

About N-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine

N-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine (PubChem CID 139826141) has the molecular formula C22H25N5S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine
PubChem CID139826141
Molecular FormulaC22H25N5S
Molecular Weight391.54 g/mol
Exact Mass391.18
IUPAC NameN-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine
SMILESCC(C(c1ccc(Nc2nc3ccccc3s2)cc1)c1cncn1C)N(C)C
InChIInChI=1S/C22H25N5S/c1-15(26(2)3)21(19-13-23-14-27(19)4)16-9-11-17(12-10-16)24-22-25-18-7-5-6-8-20(18)28-22/h5-15,21H,1-4H3,(H,24,25)
InChIKeyQUWPYQZFVSRBFN-UHFFFAOYSA-N
XLogP4.86
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 2360618
N-[4-(1-chloro-2-ethylbutyl)phenyl]-1,3-benzothiazol-2-amine
CID 22603053
N-[4-[[4-(1,3-benzothiazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzothiazol-2-amine
CID 14688876
2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 79819245
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
N-(1,3-benzothiazol-2-ylmethyl)-4-[2-(dimethylamino)-1-imidazol-1-ylpropyl]aniline
CID 142118477
1-(1,3-benzothiazol-2-yl)-N-methyl-2-(3-methylimidazol-4-yl)ethanamine
CID 66118071
N-butan-2-yl-1,3-benzothiazol-2-amine
CID 591708
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 97189278
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 75404111
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylacetamide
CID 16563890

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine (CID 139826141) is N-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine is CC(C(c1ccc(Nc2nc3ccccc3s2)cc1)c1cncn1C)N(C)C.
What is the InChIKey of N-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine?
The InChIKey is QUWPYQZFVSRBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5S/c1-15(26(2)3)21(19-13-23-14-27(19)4)16-9-11-17(12-10-16)24-22-25-18-7-5-6-8-20(18)28-22/h5-15,21H,1-4H3,(H,24,25).
What are the key properties of N-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine?
N-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine has a molecular weight of 391.54 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-1-(3-methylimidazol-4-yl)propyl]phenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 139826141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).