N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine

C19H23N3S — CID 60504601

IUPACN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine
SMILESCC(C)N(C)Cc1ccccc1CNc1nc2ccccc2s1
InChIInChI=1S/C19H23N3S/c1-14(2)22(3)13-16-9-5-4-8-15(16)12-20-19-21-17-10-6-7-11-18(17)23-19/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyREEMAFNEVMGFHI-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.75
Rot. Bonds6

About N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine

N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine (PubChem CID 60504601) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine
PubChem CID60504601
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine
SMILESCC(C)N(C)Cc1ccccc1CNc1nc2ccccc2s1
InChIInChI=1S/C19H23N3S/c1-14(2)22(3)13-16-9-5-4-8-15(16)12-20-19-21-17-10-6-7-11-18(17)23-19/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyREEMAFNEVMGFHI-UHFFFAOYSA-N
XLogP4.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 32680270
1-[2-[(1,3-benzothiazol-2-ylamino)methyl]phenyl]-N-methylmethanesulfonamide
CID 47015531
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442284
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
1-N-(1,3-benzothiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 54940995
N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 47283149
N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 47446323
N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 103603190
N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 79098958
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 103837758
N-butan-2-yl-1,3-benzothiazol-2-amine
CID 591708

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine (CID 60504601) is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine is CC(C)N(C)Cc1ccccc1CNc1nc2ccccc2s1.
What is the InChIKey of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine?
The InChIKey is REEMAFNEVMGFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-14(2)22(3)13-16-9-5-4-8-15(16)12-20-19-21-17-10-6-7-11-18(17)23-19/h4-11,14H,12-13H2,1-3H3,(H,20,21).
What are the key properties of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine?
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 325.48 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 60504601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).