2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide

C13H19N5OS — CID 63752931

IUPAC2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC(C)c2sc(C)nc2C)cn1
InChIInChI=1S/C13H19N5OS/c1-8-13(20-10(3)16-8)9(2)17-11-5-15-18(6-11)7-12(19)14-4/h5-6,9,17H,7H2,1-4H3,(H,14,19)
InChIKeyOPMXKEQDPQIJPD-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.88
Rot. Bonds5

About 2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide

2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide (PubChem CID 63752931) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
PubChem CID63752931
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC(C)c2sc(C)nc2C)cn1
InChIInChI=1S/C13H19N5OS/c1-8-13(20-10(3)16-8)9(2)17-11-5-15-18(6-11)7-12(19)14-4/h5-6,9,17H,7H2,1-4H3,(H,14,19)
InChIKeyOPMXKEQDPQIJPD-UHFFFAOYSA-N
XLogP1.88
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 61334554
N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
CID 54866547
2-[4-[1-(4-hydroxyphenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932192
2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931333
N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide
CID 54866432
2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 113354708
2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 62534727
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-methylacetamide
CID 61193340
2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 62793607
N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 60932420
N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide
CID 63992875
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide (CID 63752931) is 2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NC(C)c2sc(C)nc2C)cn1.
What is the InChIKey of 2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is OPMXKEQDPQIJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-8-13(20-10(3)16-8)9(2)17-11-5-15-18(6-11)7-12(19)14-4/h5-6,9,17H,7H2,1-4H3,(H,14,19).
What are the key properties of 2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide?
2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 293.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 63752931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).