N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C21H26N6O2S — CID 55835660

IUPACN-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCCN(CC)CCn1cc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cn1
InChIInChI=1S/C21H26N6O2S/c1-3-26(4-2)10-11-27-14-18(13-22-27)23-19(28)12-17-15-30-21(24-17)25-20(29)16-8-6-5-7-9-16/h5-9,13-15H,3-4,10-12H2,1-2H3,(H,23,28)(H,24,25,29)
InChIKeyNIQCTSMQPZBKSD-UHFFFAOYSA-N
MW426.55 g/mol
LogP3.11
Rot. Bonds10

About N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 55835660) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID55835660
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC NameN-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCCN(CC)CCn1cc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cn1
InChIInChI=1S/C21H26N6O2S/c1-3-26(4-2)10-11-27-14-18(13-22-27)23-19(28)12-17-15-30-21(24-17)25-20(29)16-8-6-5-7-9-16/h5-9,13-15H,3-4,10-12H2,1-2H3,(H,23,28)(H,24,25,29)
InChIKeyNIQCTSMQPZBKSD-UHFFFAOYSA-N
XLogP3.11
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-methyl-4-[4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 55835660) is N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is CCN(CC)CCn1cc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cn1.
What is the InChIKey of N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is NIQCTSMQPZBKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-3-26(4-2)10-11-27-14-18(13-22-27)23-19(28)12-17-15-30-21(24-17)25-20(29)16-8-6-5-7-9-16/h5-9,13-15H,3-4,10-12H2,1-2H3,(H,23,28)(H,24,25,29).
What are the key properties of N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 426.55 g/mol, XLogP of 3.11, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 55835660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).