N-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide

C13H19N5OS — CID 126800821

IUPACN-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)Cc1csc(NC(=O)c2ccn(C)n2)n1
InChIInChI=1S/C13H19N5OS/c1-4-18(5-2)8-10-9-20-13(14-10)15-12(19)11-6-7-17(3)16-11/h6-7,9H,4-5,8H2,1-3H3,(H,14,15,19)
InChIKeyMLBAIDQYPIBVQY-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.97
Rot. Bonds6

About N-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide

N-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 126800821) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide
PubChem CID126800821
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)Cc1csc(NC(=O)c2ccn(C)n2)n1
InChIInChI=1S/C13H19N5OS/c1-4-18(5-2)8-10-9-20-13(14-10)15-12(19)11-6-7-17(3)16-11/h6-7,9H,4-5,8H2,1-3H3,(H,14,15,19)
InChIKeyMLBAIDQYPIBVQY-UHFFFAOYSA-N
XLogP1.97
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide (CID 126800821) is N-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide is CCN(CC)Cc1csc(NC(=O)c2ccn(C)n2)n1.
What is the InChIKey of N-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is MLBAIDQYPIBVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-4-18(5-2)8-10-9-20-13(14-10)15-12(19)11-6-7-17(3)16-11/h6-7,9H,4-5,8H2,1-3H3,(H,14,15,19).
What are the key properties of N-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide?
N-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 126800821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).