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

C15H21N5O2S — CID 10568818

IUPACN-[[5-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCCCC/N=C(\N)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1
InChIInChI=1S/C15H21N5O2S/c1-3-4-7-17-14(16)20-15-19-12(9-23-15)13-6-5-11(22-13)8-18-10(2)21/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,21)(H3,16,17,19,20)
InChIKeyYECLWVVYRAOYHZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.57
Rot. Bonds7

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

N-[[5-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (PubChem CID 10568818) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[[5-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
PubChem CID10568818
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[[5-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCCCC/N=C(\N)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1
InChIInChI=1S/C15H21N5O2S/c1-3-4-7-17-14(16)20-15-19-12(9-23-15)13-6-5-11(22-13)8-18-10(2)21/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,21)(H3,16,17,19,20)
InChIKeyYECLWVVYRAOYHZ-UHFFFAOYSA-N
XLogP2.57
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-(5-Nitro-2-furyl)-2-thiazolyl)formamide
CID 32486
N-(4-(5-Nitro-2-furyl)-2-thiazolyl)acetamide
CID 10753
4-(Furan-2-yl)-1,3-thiazol-2-amine
CID 727834
3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzene-1-sulfonamide
CID 9166003
N-{[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]methyl}acetamide
CID 7064095
2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2464348
4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 2469776
4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2531071
2-Amino-5-methyl-4-[2-(5-phosphono)furanyl]thiazole
CID 53324367
4-(5-Methylfuran-2-yl)-1,3-thiazol-2-amine
CID 2113305
Pyrimidine-4-carboxamide, 123
CID 44520986
N-Furan-2-ylmethyl-N-(4-phenyl-thiazol-2-yl)-propionamide
CID 651338

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (CID 10568818) is N-[[5-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is CCCC/N=C(\N)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1.
What is the InChIKey of N-[[5-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The InChIKey is YECLWVVYRAOYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-3-4-7-17-14(16)20-15-19-12(9-23-15)13-6-5-11(22-13)8-18-10(2)21/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,21)(H3,16,17,19,20).
What are the key properties of N-[[5-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
N-[[5-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 10568818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).