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

C11H18N4S — CID 106049366

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(NCc2cnn(C)c2C)S1
InChIInChI=1S/C11H18N4S/c1-4-10-7-13-11(16-10)12-5-9-6-14-15(3)8(9)2/h6,10H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyLDCIRYAXSYISKB-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.70
Rot. Bonds3

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106049366) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106049366
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(NCc2cnn(C)c2C)S1
InChIInChI=1S/C11H18N4S/c1-4-10-7-13-11(16-10)12-5-9-6-14-15(3)8(9)2/h6,10H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyLDCIRYAXSYISKB-UHFFFAOYSA-N
XLogP1.70
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 106049366) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine is CCC1CN=C(NCc2cnn(C)c2C)S1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LDCIRYAXSYISKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-4-10-7-13-11(16-10)12-5-9-6-14-15(3)8(9)2/h6,10H,4-5,7H2,1-3H3,(H,12,13).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 238.36 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 N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106049366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).