(2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

C18H24N4OS2 — CID 25416882

IUPAC(2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](Sc1nccn1C1CC1)C(=O)N(c1nccs1)C1CCCCC1
InChIInChI=1S/C18H24N4OS2/c1-13(25-17-19-9-11-21(17)14-7-8-14)16(23)22(18-20-10-12-24-18)15-5-3-2-4-6-15/h9-15H,2-8H2,1H3/t13-/m1/s1
InChIKeyAUULDIDAVBKKGE-CYBMUJFWSA-N
MW376.55 g/mol
LogP4.52
Rot. Bonds6

About (2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

(2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 25416882) has the molecular formula C18H24N4OS2 and a molecular weight of 376.55 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID25416882
Molecular FormulaC18H24N4OS2
Molecular Weight376.55 g/mol
Exact Mass376.14
IUPAC Name(2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](Sc1nccn1C1CC1)C(=O)N(c1nccs1)C1CCCCC1
InChIInChI=1S/C18H24N4OS2/c1-13(25-17-19-9-11-21(17)14-7-8-14)16(23)22(18-20-10-12-24-18)15-5-3-2-4-6-15/h9-15H,2-8H2,1H3/t13-/m1/s1
InChIKeyAUULDIDAVBKKGE-CYBMUJFWSA-N
XLogP4.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (CID 25416882) is (2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is C[C@@H](Sc1nccn1C1CC1)C(=O)N(c1nccs1)C1CCCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is AUULDIDAVBKKGE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4OS2/c1-13(25-17-19-9-11-21(17)14-7-8-14)16(23)22(18-20-10-12-24-18)15-5-3-2-4-6-15/h9-15H,2-8H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
(2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 376.55 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 25416882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).