N-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide

C20H24FN5O3S — CID 87765610

IUPACN-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide
SMILESO=C(CCNC(=O)NCc1ncc(-c2ccc(C(=O)NC3CC3)cc2)s1)NCCF
InChIInChI=1S/C20H24FN5O3S/c21-8-10-22-17(27)7-9-23-20(29)25-12-18-24-11-16(30-18)13-1-3-14(4-2-13)19(28)26-15-5-6-15/h1-4,11,15H,5-10,12H2,(H,22,27)(H,26,28)(H2,23,25,29)
InChIKeySOFXLKQDYQTCEM-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.98
Rot. Bonds10

About N-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide

N-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide (PubChem CID 87765610) has the molecular formula C20H24FN5O3S and a molecular weight of 433.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide
PubChem CID87765610
Molecular FormulaC20H24FN5O3S
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC NameN-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide
SMILESO=C(CCNC(=O)NCc1ncc(-c2ccc(C(=O)NC3CC3)cc2)s1)NCCF
InChIInChI=1S/C20H24FN5O3S/c21-8-10-22-17(27)7-9-23-20(29)25-12-18-24-11-16(30-18)13-1-3-14(4-2-13)19(28)26-15-5-6-15/h1-4,11,15H,5-10,12H2,(H,22,27)(H,26,28)(H2,23,25,29)
InChIKeySOFXLKQDYQTCEM-UHFFFAOYSA-N
XLogP1.98
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide (CID 87765610) is N-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide is O=C(CCNC(=O)NCc1ncc(-c2ccc(C(=O)NC3CC3)cc2)s1)NCCF.
What is the InChIKey of N-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide?
The InChIKey is SOFXLKQDYQTCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O3S/c21-8-10-22-17(27)7-9-23-20(29)25-12-18-24-11-16(30-18)13-1-3-14(4-2-13)19(28)26-15-5-6-15/h1-4,11,15H,5-10,12H2,(H,22,27)(H,26,28)(H2,23,25,29).
What are the key properties of N-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide?
N-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide has a molecular weight of 433.51 g/mol, XLogP of 1.98, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-[[[3-(2-fluoroethylamino)-3-oxopropyl]carbamoylamino]methyl]-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 87765610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).