3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide

C19H19N5O2S — CID 134328557

IUPAC3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCC(=O)Nc1ncc(-n2cnc(-c3cc(C(=O)NC4CC4)ccc3C)c2)s1
InChIInChI=1S/C19H19N5O2S/c1-11-3-4-13(18(26)23-14-5-6-14)7-15(11)16-9-24(10-21-16)17-8-20-19(27-17)22-12(2)25/h3-4,7-10,14H,5-6H2,1-2H3,(H,23,26)(H,20,22,25)
InChIKeyJECPMMRJTMSBKC-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.15
Rot. Bonds5

About 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide

3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 134328557) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID134328557
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCC(=O)Nc1ncc(-n2cnc(-c3cc(C(=O)NC4CC4)ccc3C)c2)s1
InChIInChI=1S/C19H19N5O2S/c1-11-3-4-13(18(26)23-14-5-6-14)7-15(11)16-9-24(10-21-16)17-8-20-19(27-17)22-12(2)25/h3-4,7-10,14H,5-6H2,1-2H3,(H,23,26)(H,20,22,25)
InChIKeyJECPMMRJTMSBKC-UHFFFAOYSA-N
XLogP3.15
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide (CID 134328557) is 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide is CC(=O)Nc1ncc(-n2cnc(-c3cc(C(=O)NC4CC4)ccc3C)c2)s1.
What is the InChIKey of 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is JECPMMRJTMSBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-11-3-4-13(18(26)23-14-5-6-14)7-15(11)16-9-24(10-21-16)17-8-20-19(27-17)22-12(2)25/h3-4,7-10,14H,5-6H2,1-2H3,(H,23,26)(H,20,22,25).
What are the key properties of 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 381.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-acetamido-1,3-thiazol-5-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 134328557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).