N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

C16H20N2OS — CID 50910519

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccc(C2CC2C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C16H20N2OS/c1-10(2)11-3-5-12(6-4-11)13-9-14(13)15(19)18-16-17-7-8-20-16/h3-6,10,13-14H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyOZTVENAPWSHGCD-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.13
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 50910519) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
PubChem CID50910519
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccc(C2CC2C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C16H20N2OS/c1-10(2)11-3-5-12(6-4-11)13-9-14(13)15(19)18-16-17-7-8-20-16/h3-6,10,13-14H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyOZTVENAPWSHGCD-UHFFFAOYSA-N
XLogP3.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 6624464
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-isopropylbenzamide
CID 802139
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-isopropylphenyl)acrylamide
CID 5416418
2-Imino-5-(4-methylbenzyl)-1,3-thiazolidin-4-one
CID 2841532
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide
CID 4877567
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
CID 50910532
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 2796389
(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 20831524
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 47242079
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]but-2-enamide
CID 50910537
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)but-2-enamide
CID 50910518
(E)-2-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 51003719

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (CID 50910519) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is CC(C)c1ccc(C2CC2C(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is OZTVENAPWSHGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10(2)11-3-5-12(6-4-11)13-9-14(13)15(19)18-16-17-7-8-20-16/h3-6,10,13-14H,7-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 50910519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).