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

C18H20N6O2S — CID 10667723

IUPACN-[[5-[2-[[N'-(2-pyridin-4-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(N/C(N)=N/CCc3ccncc3)n2)o1
InChIInChI=1S/C18H20N6O2S/c1-12(25)22-10-14-2-3-16(26-14)15-11-27-18(23-15)24-17(19)21-9-6-13-4-7-20-8-5-13/h2-5,7-8,11H,6,9-10H2,1H3,(H,22,25)(H3,19,21,23,24)
InChIKeyXCRKSIOTRQFSBW-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.40
Rot. Bonds7

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

N-[[5-[2-[[N'-(2-pyridin-4-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (PubChem CID 10667723) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is N-[[5-[2-[[N'-(2-pyridin-4-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[[N'-(2-pyridin-4-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
PubChem CID10667723
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC NameN-[[5-[2-[[N'-(2-pyridin-4-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(N/C(N)=N/CCc3ccncc3)n2)o1
InChIInChI=1S/C18H20N6O2S/c1-12(25)22-10-14-2-3-16(26-14)15-11-27-18(23-15)24-17(19)21-9-6-13-4-7-20-8-5-13/h2-5,7-8,11H,6,9-10H2,1H3,(H,22,25)(H3,19,21,23,24)
InChIKeyXCRKSIOTRQFSBW-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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Related Compounds

5-methyl-N-[4-(2-pyridinyl)-2-thiazolyl]-2-furancarboxamide
CID 2466262
N-{[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]methyl}acetamide
CID 7064095
Sipagladenant
CID 23144148
Furan-2-carboxylic acid (4-phenyl-5-pyridin-4-yl-thiazol-2-yl)-amide
CID 72197880
2-(5-methyl-2-furyl)-N-1,3-thiazol-2-yl-4-quinolinecarboxamide
CID 1358325
N-(4-methylthiazol-2-yl)-3-(pyridin-3-yloxy)benzamide
CID 51033561
4-methyl-2-(5-oxo-1-((5-(trifluoromethyl)furan-2-yl)methyl)-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481269
4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine
CID 89422315
N-(3-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 647705
N-(furan-2-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 883342
N-(4-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 972496
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2406187

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[[N'-(2-pyridin-4-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[[N'-(2-pyridin-4-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (CID 10667723) is N-[[5-[2-[[N'-(2-pyridin-4-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-4-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[[N'-(2-pyridin-4-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(-c2csc(N/C(N)=N/CCc3ccncc3)n2)o1.
What is the InChIKey of N-[[5-[2-[[N'-(2-pyridin-4-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The InChIKey is XCRKSIOTRQFSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-12(25)22-10-14-2-3-16(26-14)15-11-27-18(23-15)24-17(19)21-9-6-13-4-7-20-8-5-13/h2-5,7-8,11H,6,9-10H2,1H3,(H,22,25)(H3,19,21,23,24).
What are the key properties of N-[[5-[2-[[N'-(2-pyridin-4-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
N-[[5-[2-[[N'-(2-pyridin-4-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-4-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 10667723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).