2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide

C13H19N5OS — CID 64557479

IUPAC2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCCCNC(C)c1csc(NC(=O)c2ccnn2C)n1
InChIInChI=1S/C13H19N5OS/c1-4-6-14-9(2)10-8-20-13(16-10)17-12(19)11-5-7-15-18(11)3/h5,7-9,14H,4,6H2,1-3H3,(H,16,17,19)
InChIKeyKOEYFTHZTVIHNU-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.19
Rot. Bonds6

About 2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide

2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 64557479) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
PubChem CID64557479
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCCCNC(C)c1csc(NC(=O)c2ccnn2C)n1
InChIInChI=1S/C13H19N5OS/c1-4-6-14-9(2)10-8-20-13(16-10)17-12(19)11-5-7-15-18(11)3/h5,7-9,14H,4,6H2,1-3H3,(H,16,17,19)
InChIKeyKOEYFTHZTVIHNU-UHFFFAOYSA-N
XLogP2.19
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide (CID 64557479) is 2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide is CCCNC(C)c1csc(NC(=O)c2ccnn2C)n1.
What is the InChIKey of 2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is KOEYFTHZTVIHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-4-6-14-9(2)10-8-20-13(16-10)17-12(19)11-5-7-15-18(11)3/h5,7-9,14H,4,6H2,1-3H3,(H,16,17,19).
What are the key properties of 2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 64557479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).