N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine

C17H22N2S — CID 61334255

IUPACN-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1ccccc1)c1nc2c(s1)CCCC2
InChIInChI=1S/C17H22N2S/c1-12(2)18-16(13-8-4-3-5-9-13)17-19-14-10-6-7-11-15(14)20-17/h3-5,8-9,12,16,18H,6-7,10-11H2,1-2H3
InChIKeyRIKLXNRCMREQFB-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.11
Rot. Bonds4

About N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine

N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine (PubChem CID 61334255) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
PubChem CID61334255
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1ccccc1)c1nc2c(s1)CCCC2
InChIInChI=1S/C17H22N2S/c1-12(2)18-16(13-8-4-3-5-9-13)17-19-14-10-6-7-11-15(14)20-17/h3-5,8-9,12,16,18H,6-7,10-11H2,1-2H3
InChIKeyRIKLXNRCMREQFB-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 61335817
N-[(3-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-2-amine
CID 61335434
N-[(2-bromophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 61333665
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine
CID 61333469
N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 61345201
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methylthiophen-2-yl)methyl]propan-2-amine
CID 61347934
N-[(3-ethylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 66133506
1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 115524807
N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61331219
1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 79972040
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 61331562
N-[(4-bromophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61331218

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine (CID 61334255) is N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine is CC(C)NC(c1ccccc1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
The InChIKey is RIKLXNRCMREQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-12(2)18-16(13-8-4-3-5-9-13)17-19-14-10-6-7-11-15(14)20-17/h3-5,8-9,12,16,18H,6-7,10-11H2,1-2H3.
What are the key properties of N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine has a molecular weight of 286.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 61334255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).