N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide

C14H20N4OS — CID 122561002

IUPACN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide
SMILESCCc1nc(C)c(CNC(=O)CCCn2cccn2)s1
InChIInChI=1S/C14H20N4OS/c1-3-14-17-11(2)12(20-14)10-15-13(19)6-4-8-18-9-5-7-16-18/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,15,19)
InChIKeyDNNMTQXOMVLBEQ-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.31
Rot. Bonds7

About N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide

N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide (PubChem CID 122561002) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide
PubChem CID122561002
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide
SMILESCCc1nc(C)c(CNC(=O)CCCn2cccn2)s1
InChIInChI=1S/C14H20N4OS/c1-3-14-17-11(2)12(20-14)10-15-13(19)6-4-8-18-9-5-7-16-18/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,15,19)
InChIKeyDNNMTQXOMVLBEQ-UHFFFAOYSA-N
XLogP2.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide (CID 122561002) is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide is CCc1nc(C)c(CNC(=O)CCCn2cccn2)s1.
What is the InChIKey of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is DNNMTQXOMVLBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-14-17-11(2)12(20-14)10-15-13(19)6-4-8-18-9-5-7-16-18/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,15,19).
What are the key properties of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide?
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 292.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 122561002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).