N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide

C16H23N3OS — CID 51106672

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
SMILESCCN(Cc1ccc(C(=O)NC2=NCCS2)cc1)C(C)C
InChIInChI=1S/C16H23N3OS/c1-4-19(12(2)3)11-13-5-7-14(8-6-13)15(20)18-16-17-9-10-21-16/h5-8,12H,4,9-11H2,1-3H3,(H,17,18,20)
InChIKeyRWPRKRFTOGNRSV-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.75
Rot. Bonds5

About N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide (PubChem CID 51106672) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
PubChem CID51106672
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
SMILESCCN(Cc1ccc(C(=O)NC2=NCCS2)cc1)C(C)C
InChIInChI=1S/C16H23N3OS/c1-4-19(12(2)3)11-13-5-7-14(8-6-13)15(20)18-16-17-9-10-21-16/h5-8,12H,4,9-11H2,1-3H3,(H,17,18,20)
InChIKeyRWPRKRFTOGNRSV-UHFFFAOYSA-N
XLogP2.75
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide
CID 47299837
4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
N-(4,5-dihydro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 2110722
N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 86878011
N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride
CID 119383699
4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]benzoic acid
CID 119353542
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 111459679
3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide
CID 960169
N-[(3S)-1,1-dioxothiolan-3-yl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 94822687
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 94822134
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 56550578

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide (CID 51106672) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide is CCN(Cc1ccc(C(=O)NC2=NCCS2)cc1)C(C)C.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide?
The InChIKey is RWPRKRFTOGNRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-4-19(12(2)3)11-13-5-7-14(8-6-13)15(20)18-16-17-9-10-21-16/h5-8,12H,4,9-11H2,1-3H3,(H,17,18,20).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide has a molecular weight of 305.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 51106672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).