N-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

C18H20N6O2S — CID 10715047

IUPACN-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(N/C(N)=N/CCc3ccccn3)n2)o1
InChIInChI=1S/C18H20N6O2S/c1-12(25)22-10-14-5-6-16(26-14)15-11-27-18(23-15)24-17(19)21-9-7-13-4-2-3-8-20-13/h2-6,8,11H,7,9-10H2,1H3,(H,22,25)(H3,19,21,23,24)
InChIKeyAVFKKYGLFRPTOI-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.40
Rot. Bonds7

About N-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

N-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (PubChem CID 10715047) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is N-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
PubChem CID10715047
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC NameN-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(N/C(N)=N/CCc3ccccn3)n2)o1
InChIInChI=1S/C18H20N6O2S/c1-12(25)22-10-14-5-6-16(26-14)15-11-27-18(23-15)24-17(19)21-9-7-13-4-2-3-8-20-13/h2-6,8,11H,7,9-10H2,1H3,(H,22,25)(H3,19,21,23,24)
InChIKeyAVFKKYGLFRPTOI-UHFFFAOYSA-N
XLogP2.40
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (CID 10715047) is N-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(-c2csc(N/C(N)=N/CCc3ccccn3)n2)o1.
What is the InChIKey of N-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The InChIKey is AVFKKYGLFRPTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-12(25)22-10-14-5-6-16(26-14)15-11-27-18(23-15)24-17(19)21-9-7-13-4-2-3-8-20-13/h2-6,8,11H,7,9-10H2,1H3,(H,22,25)(H3,19,21,23,24).
What are the key properties of N-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
N-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide has a molecular weight of 384.47 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 10715047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).