N-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide

C17H18N2O2S2 — CID 100723402

IUPACN-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide
SMILESCN(Cc1ccco1)C(=O)C(C)(C)c1csc(-c2cccs2)n1
InChIInChI=1S/C17H18N2O2S2/c1-17(2,16(20)19(3)10-12-6-4-8-21-12)14-11-23-15(18-14)13-7-5-9-22-13/h4-9,11H,10H2,1-3H3
InChIKeyNDXBYZFNZWQVKH-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.40
Rot. Bonds5

About N-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide

N-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 100723402) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide
PubChem CID100723402
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC NameN-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide
SMILESCN(Cc1ccco1)C(=O)C(C)(C)c1csc(-c2cccs2)n1
InChIInChI=1S/C17H18N2O2S2/c1-17(2,16(20)19(3)10-12-6-4-8-21-12)14-11-23-15(18-14)13-7-5-9-22-13/h4-9,11H,10H2,1-3H3
InChIKeyNDXBYZFNZWQVKH-UHFFFAOYSA-N
XLogP4.40
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18111822
methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate
CID 116890129
2-amino-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62787665
N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 70728476
N-(furan-2-ylmethyl)-N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17418152
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17499300
1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 100738581
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 70754339
N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134058808
N-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18100625
N-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 96578149

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide (CID 100723402) is N-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide is CN(Cc1ccco1)C(=O)C(C)(C)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is NDXBYZFNZWQVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-17(2,16(20)19(3)10-12-6-4-8-21-12)14-11-23-15(18-14)13-7-5-9-22-13/h4-9,11H,10H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide?
N-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 346.48 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 100723402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).