N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine

C15H14FN3S — CID 124735773

IUPACN-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(N[C@@H](C)c3ccncc3F)cc2s1
InChIInChI=1S/C15H14FN3S/c1-9(12-5-6-17-8-13(12)16)18-11-3-4-14-15(7-11)20-10(2)19-14/h3-9,18H,1-2H3/t9-/m0/s1
InChIKeyNVGCUSBSXQWITC-VIFPVBQESA-N
MW287.36 g/mol
LogP4.31
Rot. Bonds3

About N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine

N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 124735773) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
PubChem CID124735773
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC NameN-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(N[C@@H](C)c3ccncc3F)cc2s1
InChIInChI=1S/C15H14FN3S/c1-9(12-5-6-17-8-13(12)16)18-11-3-4-14-15(7-11)20-10(2)19-14/h3-9,18H,1-2H3/t9-/m0/s1
InChIKeyNVGCUSBSXQWITC-VIFPVBQESA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682628
5-fluoro-2-[1-[(2-methyl-1,3-benzothiazol-6-yl)amino]ethyl]phenol
CID 63064121
N-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682693
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine
CID 47155576
N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682683
2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
CID 103388112
N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682691
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682
2-methylsulfanyl-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-6-amine
CID 43682798
N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 57412037
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine (CID 124735773) is N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2ccc(N[C@@H](C)c3ccncc3F)cc2s1.
What is the InChIKey of N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is NVGCUSBSXQWITC-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14FN3S/c1-9(12-5-6-17-8-13(12)16)18-11-3-4-14-15(7-11)20-10(2)19-14/h3-9,18H,1-2H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 287.36 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 124735773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).