N,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine

C12H19N5S — CID 61284687

IUPACN,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCc2ccn[nH]2)s1
InChIInChI=1S/C12H19N5S/c1-3-17(4-2)12-14-9-11(18-12)8-13-7-10-5-6-15-16-10/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyQADBABRZDIXXKR-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.00
Rot. Bonds7

About N,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 61284687) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID61284687
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCc2ccn[nH]2)s1
InChIInChI=1S/C12H19N5S/c1-3-17(4-2)12-14-9-11(18-12)8-13-7-10-5-6-15-16-10/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyQADBABRZDIXXKR-UHFFFAOYSA-N
XLogP2.00
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine (CID 61284687) is N,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNCc2ccn[nH]2)s1.
What is the InChIKey of N,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is QADBABRZDIXXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-3-17(4-2)12-14-9-11(18-12)8-13-7-10-5-6-15-16-10/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of N,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 265.39 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 61284687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).