N-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine

C15H18N4S — CID 66130680

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine
SMILESCC(C)n1cncc1CNCc1nc2ccccc2s1
InChIInChI=1S/C15H18N4S/c1-11(2)19-10-17-8-12(19)7-16-9-15-18-13-5-3-4-6-14(13)20-15/h3-6,8,10-11,16H,7,9H2,1-2H3
InChIKeyFSEZYEYTPQNHFW-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.36
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine

N-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine (PubChem CID 66130680) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine
PubChem CID66130680
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine
SMILESCC(C)n1cncc1CNCc1nc2ccccc2s1
InChIInChI=1S/C15H18N4S/c1-11(2)19-10-17-8-12(19)7-16-9-15-18-13-5-3-4-6-14(13)20-15/h3-6,8,10-11,16H,7,9H2,1-2H3
InChIKeyFSEZYEYTPQNHFW-UHFFFAOYSA-N
XLogP3.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzothiazol-2-ylmethylamino)butan-2-ol
CID 64912246
1-(6-methyl-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 66161982
N-(1,3-benzothiazol-2-ylmethyl)-3-methylpentan-2-amine
CID 43204584
N-(1,3-benzothiazol-2-ylmethyl)-7-methyloctan-1-amine
CID 103605002
1-N-(1,3-benzothiazol-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 83961865
N-(1,3-benzothiazol-2-ylmethyl)-4-chloropentan-1-amine
CID 106122135
N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
CID 61283669
4-[(1,3-benzothiazol-2-ylmethylamino)methyl]benzene-1,3-diol
CID 28665229
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
CID 28665172
N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65243812
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 28781462
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 66131471

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine (CID 66130680) is N-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine is CC(C)n1cncc1CNCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine?
The InChIKey is FSEZYEYTPQNHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-11(2)19-10-17-8-12(19)7-16-9-15-18-13-5-3-4-6-14(13)20-15/h3-6,8,10-11,16H,7,9H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine?
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine has a molecular weight of 286.40 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-(1,3-benzothiazol-2-ylmethyl)-1-(3-propan-2-ylimidazol-4-yl)methanamine is sourced from PubChem (CID 66130680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).