5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C14H24N4S — CID 106049365

IUPAC5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1c(CNC2=NCC(CC(C)(C)C)S2)cnn1C
InChIInChI=1S/C14H24N4S/c1-10-11(8-17-18(10)5)7-15-13-16-9-12(19-13)6-14(2,3)4/h8,12H,6-7,9H2,1-5H3,(H,15,16)
InChIKeyXPGRWCHZMSBNBC-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.73
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106049365) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106049365
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1c(CNC2=NCC(CC(C)(C)C)S2)cnn1C
InChIInChI=1S/C14H24N4S/c1-10-11(8-17-18(10)5)7-15-13-16-9-12(19-13)6-14(2,3)4/h8,12H,6-7,9H2,1-5H3,(H,15,16)
InChIKeyXPGRWCHZMSBNBC-UHFFFAOYSA-N
XLogP2.73
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-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 5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 106049365) is 5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1c(CNC2=NCC(CC(C)(C)C)S2)cnn1C.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XPGRWCHZMSBNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-10-11(8-17-18(10)5)7-15-13-16-9-12(19-13)6-14(2,3)4/h8,12H,6-7,9H2,1-5H3,(H,15,16).
What are the key properties of 5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 280.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106049365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).