4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine

C17H24N4S — CID 51105075

IUPAC4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNC1CCSc2ccccc21
InChIInChI=1S/C17H24N4S/c1-12-14(17(20(2)3)21(4)19-12)11-18-15-9-10-22-16-8-6-5-7-13(15)16/h5-8,15,18H,9-11H2,1-4H3
InChIKeyFKHBKFJUKFBLIH-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.12
Rot. Bonds4

About 4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine

4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine (PubChem CID 51105075) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine
PubChem CID51105075
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNC1CCSc2ccccc21
InChIInChI=1S/C17H24N4S/c1-12-14(17(20(2)3)21(4)19-12)11-18-15-9-10-22-16-8-6-5-7-13(15)16/h5-8,15,18H,9-11H2,1-4H3
InChIKeyFKHBKFJUKFBLIH-UHFFFAOYSA-N
XLogP3.12
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The IUPAC name of 4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine (CID 51105075) is 4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine.
What is the SMILES notation for 4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The canonical SMILES for 4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CNC1CCSc2ccccc21.
What is the InChIKey of 4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The InChIKey is FKHBKFJUKFBLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-12-14(17(20(2)3)21(4)19-12)11-18-15-9-10-22-16-8-6-5-7-13(15)16/h5-8,15,18H,9-11H2,1-4H3.
What are the key properties of 4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine has a molecular weight of 316.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine is sourced from PubChem (CID 51105075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).