N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine

C14H17N5S — CID 82563290

IUPACN',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1nc2ccc(-c3nccs3)cc2[nH]1
InChIInChI=1S/C14H17N5S/c1-19(2)7-5-16-14-17-11-4-3-10(9-12(11)18-14)13-15-6-8-20-13/h3-4,6,8-9H,5,7H2,1-2H3,(H2,16,17,18)
InChIKeyWRQNCVRVDXKSCJ-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.66
Rot. Bonds5

About N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine (PubChem CID 82563290) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine
PubChem CID82563290
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC NameN',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1nc2ccc(-c3nccs3)cc2[nH]1
InChIInChI=1S/C14H17N5S/c1-19(2)7-5-16-14-17-11-4-3-10(9-12(11)18-14)13-15-6-8-20-13/h3-4,6,8-9H,5,7H2,1-2H3,(H2,16,17,18)
InChIKeyWRQNCVRVDXKSCJ-UHFFFAOYSA-N
XLogP2.66
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563289
N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82564643
6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 82564660
N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563238
N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563255
methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate
CID 82563265
N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103294912
2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine
CID 69018382
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole
CID 82563335
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
[3-propyl-6-(1,3-thiazol-2-yl)quinolin-2-yl]hydrazine
CID 63232653

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine (CID 82563290) is N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine is CN(C)CCNc1nc2ccc(-c3nccs3)cc2[nH]1.
What is the InChIKey of N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine?
The InChIKey is WRQNCVRVDXKSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-19(2)7-5-16-14-17-11-4-3-10(9-12(11)18-14)13-15-6-8-20-13/h3-4,6,8-9H,5,7H2,1-2H3,(H2,16,17,18).
What are the key properties of N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine has a molecular weight of 287.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 82563290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).