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

C16H24N4S — CID 91659963

IUPAC2-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCc1nc2c(s1)C(NC(C)Cc1cc(C)[nH]n1)CCC2
InChIInChI=1S/C16H24N4S/c1-4-15-18-14-7-5-6-13(16(14)21-15)17-10(2)8-12-9-11(3)19-20-12/h9-10,13,17H,4-8H2,1-3H3,(H,19,20)
InChIKeyXHLYUMYGRUSXFL-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.34
Rot. Bonds5

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

2-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 91659963) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID91659963
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCc1nc2c(s1)C(NC(C)Cc1cc(C)[nH]n1)CCC2
InChIInChI=1S/C16H24N4S/c1-4-15-18-14-7-5-6-13(16(14)21-15)17-10(2)8-12-9-11(3)19-20-12/h9-10,13,17H,4-8H2,1-3H3,(H,19,20)
InChIKeyXHLYUMYGRUSXFL-UHFFFAOYSA-N
XLogP3.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 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) is 2-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCc1nc2c(s1)C(NC(C)Cc1cc(C)[nH]n1)CCC2.
What is the InChIKey of 2-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is XHLYUMYGRUSXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-15-18-14-7-5-6-13(16(14)21-15)17-10(2)8-12-9-11(3)19-20-12/h9-10,13,17H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 2-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 304.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 91659963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).