N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide

C14H17N3O3S — CID 24687666

IUPACN-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NC1=NCCS1
InChIInChI=1S/C14H17N3O3S/c1-20-11-5-3-2-4-10(11)13(19)15-7-6-12(18)17-14-16-8-9-21-14/h2-5H,6-9H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyIRWQVHVBSNLOJC-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.03
Rot. Bonds5

About N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide

N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide (PubChem CID 24687666) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
PubChem CID24687666
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC NameN-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NC1=NCCS1
InChIInChI=1S/C14H17N3O3S/c1-20-11-5-3-2-4-10(11)13(19)15-7-6-12(18)17-14-16-8-9-21-14/h2-5H,6-9H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyIRWQVHVBSNLOJC-UHFFFAOYSA-N
XLogP1.03
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 669323
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 821601
2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 24982054
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 669435
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide
CID 1246268
Benzamide, 2-methoxy-N-(2-(pyrrolidinyl)ethyl)-
CID 52095
2-methoxy-4-(methylsulfanyl)-N-propylbenzamide
CID 2271058
N-[1-(cycloheptylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 4879446
2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide
CID 24981197
5-Chloro-N-(4,5-dihydro-thiazol-2-yl)-2-methoxy-benzamide
CID 924647
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 2115754
2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide
CID 2507045

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide?
The IUPAC name of N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide (CID 24687666) is N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCC(=O)NC1=NCCS1.
What is the InChIKey of N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide?
The InChIKey is IRWQVHVBSNLOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-11-5-3-2-4-10(11)13(19)15-7-6-12(18)17-14-16-8-9-21-14/h2-5H,6-9H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide?
N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide has a molecular weight of 307.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide is sourced from PubChem (CID 24687666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).