(7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C15H22N4S — CID 97108466

IUPAC(7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCc1nc2c(s1)[C@H](NCc1cnn(C)c1C)CCC2
InChIInChI=1S/C15H22N4S/c1-4-14-18-13-7-5-6-12(15(13)20-14)16-8-11-9-17-19(3)10(11)2/h9,12,16H,4-8H2,1-3H3/t12-/m1/s1
InChIKeyVMYMSAAIGZZFTJ-GFCCVEGCSA-N
MW290.44 g/mol
LogP2.91
Rot. Bonds4

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

(7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 97108466) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is (7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name(7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID97108466
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name(7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCc1nc2c(s1)[C@H](NCc1cnn(C)c1C)CCC2
InChIInChI=1S/C15H22N4S/c1-4-14-18-13-7-5-6-12(15(13)20-14)16-8-11-9-17-19(3)10(11)2/h9,12,16H,4-8H2,1-3H3/t12-/m1/s1
InChIKeyVMYMSAAIGZZFTJ-GFCCVEGCSA-N
XLogP2.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 167981538
(7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 97229799
2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 115705607
3-[(1,5-dimethylpyrazol-4-yl)methylamino]azepan-2-one
CID 79578454
[1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 45216602
1-[4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]butyl]pyridin-2-one
CID 75383030
N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62091832
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine
CID 79578616
2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79411549
(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 75389953
4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 79579556
2-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 91659963

Frequently Asked Questions

What is the IUPAC name of (7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of (7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 97108466) is (7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for (7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for (7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCc1nc2c(s1)[C@H](NCc1cnn(C)c1C)CCC2.
What is the InChIKey of (7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is VMYMSAAIGZZFTJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-14-18-13-7-5-6-12(15(13)20-14)16-8-11-9-17-19(3)10(11)2/h9,12,16H,4-8H2,1-3H3/t12-/m1/s1.
What are the key properties of (7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
(7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 290.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 97108466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).