N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide

C24H23N3O2S — CID 55787443

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide
SMILESC=CCN(C(=O)c1ccc2c(c1)CCN2C(=O)CC)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H23N3O2S/c1-3-13-27(24-25-20(16-30-24)17-8-6-5-7-9-17)23(29)19-10-11-21-18(15-19)12-14-26(21)22(28)4-2/h3,5-11,15-16H,1,4,12-14H2,2H3
InChIKeyPURWCIJWGPRWHF-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.94
Rot. Bonds6

About N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide

N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55787443) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide
PubChem CID55787443
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide
SMILESC=CCN(C(=O)c1ccc2c(c1)CCN2C(=O)CC)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H23N3O2S/c1-3-13-27(24-25-20(16-30-24)17-8-6-5-7-9-17)23(29)19-10-11-21-18(15-19)12-14-26(21)22(28)4-2/h3,5-11,15-16H,1,4,12-14H2,2H3
InChIKeyPURWCIJWGPRWHF-UHFFFAOYSA-N
XLogP4.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675971
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 29441723
3-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 3298434
3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 8840086
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 24591343
3-benzamido-4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 55630363
3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 53377425
6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 134016011
methyl N-[4-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylcarbamoyl]phenyl]carbamate
CID 39992831
3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 55666595
6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 43069032

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide (CID 55787443) is N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide is C=CCN(C(=O)c1ccc2c(c1)CCN2C(=O)CC)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is PURWCIJWGPRWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-3-13-27(24-25-20(16-30-24)17-8-6-5-7-9-17)23(29)19-10-11-21-18(15-19)12-14-26(21)22(28)4-2/h3,5-11,15-16H,1,4,12-14H2,2H3.
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide?
N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55787443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).