1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine

C18H22N2S — CID 79972040

IUPAC1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
SMILESCNC(c1ccc(C2CC2)cc1)c1nc2c(s1)CCCC2
InChIInChI=1S/C18H22N2S/c1-19-17(14-10-8-13(9-11-14)12-6-7-12)18-20-15-4-2-3-5-16(15)21-18/h8-12,17,19H,2-7H2,1H3
InChIKeyJCHOVXVPQPLWDN-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.21
Rot. Bonds4

About 1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine

1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (PubChem CID 79972040) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
PubChem CID79972040
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC Name1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
SMILESCNC(c1ccc(C2CC2)cc1)c1nc2c(s1)CCCC2
InChIInChI=1S/C18H22N2S/c1-19-17(14-10-8-13(9-11-14)12-6-7-12)18-20-15-4-2-3-5-16(15)21-18/h8-12,17,19H,2-7H2,1H3
InChIKeyJCHOVXVPQPLWDN-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 79972579
1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 115524807
1-(4-bromo-3-methylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 66478811
1-(3,5-difluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 106531764
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 61331562
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
CID 114937723
N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 61334255
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 61332350
N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61331219
N-[(4-bromophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61331218
1-(3-ethoxyphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61332608
1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 79980474

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (CID 79972040) is 1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine is CNC(c1ccc(C2CC2)cc1)c1nc2c(s1)CCCC2.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
The InChIKey is JCHOVXVPQPLWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-19-17(14-10-8-13(9-11-14)12-6-7-12)18-20-15-4-2-3-5-16(15)21-18/h8-12,17,19H,2-7H2,1H3.
What are the key properties of 1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine has a molecular weight of 298.45 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine is sourced from PubChem (CID 79972040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).