3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

C18H20N2OS — CID 71936941

IUPAC3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESO=C(CC(C1CC1)C1CC1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C18H20N2OS/c21-17(11-16(12-1-2-12)13-3-4-13)20-15-7-5-14(6-8-15)18-19-9-10-22-18/h5-10,12-13,16H,1-4,11H2,(H,20,21)
InChIKeyMSCIPOVBZWDMSL-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.57
Rot. Bonds6

About 3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (PubChem CID 71936941) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
PubChem CID71936941
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESO=C(CC(C1CC1)C1CC1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C18H20N2OS/c21-17(11-16(12-1-2-12)13-3-4-13)20-15-7-5-14(6-8-15)18-19-9-10-22-18/h5-10,12-13,16H,1-4,11H2,(H,20,21)
InChIKeyMSCIPOVBZWDMSL-UHFFFAOYSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 119686460
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 98443523
5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 24648854
2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 79287112
(3R)-3-acetamido-3-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 9449805
5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 114014790
2-amino-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60926946
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903
2-[(2-methylpropan-2-yl)oxy]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 115950100
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
CID 82852078

Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (CID 71936941) is 3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is O=C(CC(C1CC1)C1CC1)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The InChIKey is MSCIPOVBZWDMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-17(11-16(12-1-2-12)13-3-4-13)20-15-7-5-14(6-8-15)18-19-9-10-22-18/h5-10,12-13,16H,1-4,11H2,(H,20,21).
What are the key properties of 3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide has a molecular weight of 312.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 71936941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).