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

C14H20N4S — CID 103572807

IUPACN-methyl-2-(1-propylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCn1cc(-c2nc3c(s2)C(NC)CCC3)cn1
InChIInChI=1S/C14H20N4S/c1-3-7-18-9-10(8-16-18)14-17-12-6-4-5-11(15-2)13(12)19-14/h8-9,11,15H,3-7H2,1-2H3
InChIKeyGEBHNNWURONYIJ-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.01
Rot. Bonds4

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

N-methyl-2-(1-propylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 103572807) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-methyl-2-(1-propylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-methyl-2-(1-propylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID103572807
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-methyl-2-(1-propylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCn1cc(-c2nc3c(s2)C(NC)CCC3)cn1
InChIInChI=1S/C14H20N4S/c1-3-7-18-9-10(8-16-18)14-17-12-6-4-5-11(15-2)13(12)19-14/h8-9,11,15H,3-7H2,1-2H3
InChIKeyGEBHNNWURONYIJ-UHFFFAOYSA-N
XLogP3.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-propylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-methyl-2-(1-propylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 103572807) is N-methyl-2-(1-propylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-methyl-2-(1-propylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-methyl-2-(1-propylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCCn1cc(-c2nc3c(s2)C(NC)CCC3)cn1.
What is the InChIKey of N-methyl-2-(1-propylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is GEBHNNWURONYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-7-18-9-10(8-16-18)14-17-12-6-4-5-11(15-2)13(12)19-14/h8-9,11,15H,3-7H2,1-2H3.
What are the key properties of N-methyl-2-(1-propylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-methyl-2-(1-propylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 276.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-propylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 103572807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).