N-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine

C14H20N4S — CID 91646723

IUPACN-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2nc3c(s2)CC(C)(C)CC3)cn1
InChIInChI=1S/C14H20N4S/c1-14(2)5-4-11-12(6-14)19-13(17-11)8-15-10-7-16-18(3)9-10/h7,9,15H,4-6,8H2,1-3H3
InChIKeyOUGXSFQBQWLUMY-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.00
Rot. Bonds3

About N-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine

N-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine (PubChem CID 91646723) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine
PubChem CID91646723
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2nc3c(s2)CC(C)(C)CC3)cn1
InChIInChI=1S/C14H20N4S/c1-14(2)5-4-11-12(6-14)19-13(17-11)8-15-10-7-16-18(3)9-10/h7,9,15H,4-6,8H2,1-3H3
InChIKeyOUGXSFQBQWLUMY-UHFFFAOYSA-N
XLogP3.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine (CID 91646723) is N-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine is Cn1cc(NCc2nc3c(s2)CC(C)(C)CC3)cn1.
What is the InChIKey of N-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is OUGXSFQBQWLUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-14(2)5-4-11-12(6-14)19-13(17-11)8-15-10-7-16-18(3)9-10/h7,9,15H,4-6,8H2,1-3H3.
What are the key properties of N-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine?
N-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 276.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 91646723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).