N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine

C15H18N4OS — CID 133410822

IUPACN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine
SMILESCOC(C)c1nc(CN(C)c2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C15H18N4OS/c1-10(20-3)14-16-11(9-21-14)8-19(2)15-17-12-6-4-5-7-13(12)18-15/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChIKeyKXACTYBQFXHUAY-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.36
Rot. Bonds5

About N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine (PubChem CID 133410822) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine
PubChem CID133410822
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine
SMILESCOC(C)c1nc(CN(C)c2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C15H18N4OS/c1-10(20-3)14-16-11(9-21-14)8-19(2)15-17-12-6-4-5-7-13(12)18-15/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChIKeyKXACTYBQFXHUAY-UHFFFAOYSA-N
XLogP3.36
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine
CID 133337716
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine
CID 133337708
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133337753
N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine
CID 63392162
N-(2-methoxyethyl)-N-methyl-1H-benzimidazol-2-amine
CID 133409792
6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine
CID 133337737
N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 96529611
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
CID 55125582
N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
CID 90287555
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
N-methyl-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
CID 115143872

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine (CID 133410822) is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine is COC(C)c1nc(CN(C)c2nc3ccccc3[nH]2)cs1.
What is the InChIKey of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine?
The InChIKey is KXACTYBQFXHUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10(20-3)14-16-11(9-21-14)8-19(2)15-17-12-6-4-5-7-13(12)18-15/h4-7,9-10H,8H2,1-3H3,(H,17,18).
What are the key properties of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine?
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine has a molecular weight of 302.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 133410822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).