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

C13H20N4S — CID 79238597

IUPAC5-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1nn(C)c(C)c1CNC1=NCC(C2CC2)S1
InChIInChI=1S/C13H20N4S/c1-8-11(9(2)17(3)16-8)6-14-13-15-7-12(18-13)10-4-5-10/h10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyBABXCVCLXCXDMH-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.01
Rot. Bonds3

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

5-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 79238597) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID79238597
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name5-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1nn(C)c(C)c1CNC1=NCC(C2CC2)S1
InChIInChI=1S/C13H20N4S/c1-8-11(9(2)17(3)16-8)6-14-13-15-7-12(18-13)10-4-5-10/h10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyBABXCVCLXCXDMH-UHFFFAOYSA-N
XLogP2.01
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 79238597) is 5-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1nn(C)c(C)c1CNC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BABXCVCLXCXDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-8-11(9(2)17(3)16-8)6-14-13-15-7-12(18-13)10-4-5-10/h10,12H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 5-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 264.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 79238597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).