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

C12H18N4S — CID 106049378

IUPAC5-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1c(CNC2=NCC(C3CC3)S2)cnn1C
InChIInChI=1S/C12H18N4S/c1-8-10(6-15-16(8)2)5-13-12-14-7-11(17-12)9-3-4-9/h6,9,11H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyIXCALKZAJSEAFN-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.70
Rot. Bonds3

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

5-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106049378) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106049378
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name5-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1c(CNC2=NCC(C3CC3)S2)cnn1C
InChIInChI=1S/C12H18N4S/c1-8-10(6-15-16(8)2)5-13-12-14-7-11(17-12)9-3-4-9/h6,9,11H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyIXCALKZAJSEAFN-UHFFFAOYSA-N
XLogP1.70
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 106049378) is 5-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1c(CNC2=NCC(C3CC3)S2)cnn1C.
What is the InChIKey of 5-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IXCALKZAJSEAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8-10(6-15-16(8)2)5-13-12-14-7-11(17-12)9-3-4-9/h6,9,11H,3-5,7H2,1-2H3,(H,13,14).
What are the key properties of 5-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106049378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).