N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C19H17N3O3S2 — CID 8941478

IUPACN-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1nc(-c2ccc(CNC(=O)CCn3c(=O)oc4ccccc43)s2)cs1
InChIInChI=1S/C19H17N3O3S2/c1-12-21-14(11-26-12)17-7-6-13(27-17)10-20-18(23)8-9-22-15-4-2-3-5-16(15)25-19(22)24/h2-7,11H,8-10H2,1H3,(H,20,23)
InChIKeyQWENIYHBANJIOE-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.79
Rot. Bonds6

About N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 8941478) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID8941478
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC NameN-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1nc(-c2ccc(CNC(=O)CCn3c(=O)oc4ccccc43)s2)cs1
InChIInChI=1S/C19H17N3O3S2/c1-12-21-14(11-26-12)17-7-6-13(27-17)10-20-18(23)8-9-22-15-4-2-3-5-16(15)25-19(22)24/h2-7,11H,8-10H2,1H3,(H,20,23)
InChIKeyQWENIYHBANJIOE-UHFFFAOYSA-N
XLogP3.79
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18142844
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 8940367
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 18120397
3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
CID 8941429
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 86858105
4-(4-ethoxyphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]butanamide
CID 8940627
N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 47088605
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 8941199
3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8941093
N-[(4-cyanophenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 52571612
N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 120828743

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 8941478) is N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is Cc1nc(-c2ccc(CNC(=O)CCn3c(=O)oc4ccccc43)s2)cs1.
What is the InChIKey of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is QWENIYHBANJIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c1-12-21-14(11-26-12)17-7-6-13(27-17)10-20-18(23)8-9-22-15-4-2-3-5-16(15)25-19(22)24/h2-7,11H,8-10H2,1H3,(H,20,23).
What are the key properties of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 399.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 8941478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).