N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride

C14H19ClN4O3S — CID 119696366

IUPACN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CC(C)N)n2)o1.Cl
InChIInChI=1S/C14H18N4O3S.ClH/c1-8(15)5-13(20)18-14-17-11(7-22-14)12-4-3-10(21-12)6-16-9(2)19;/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,19)(H,17,18,20);1H
InChIKeyIGIKFLMAZUOGTC-UHFFFAOYSA-N
MW358.85 g/mol
LogP2.14
Rot. Bonds6

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride (PubChem CID 119696366) has the molecular formula C14H19ClN4O3S and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride
PubChem CID119696366
Molecular FormulaC14H19ClN4O3S
Molecular Weight358.85 g/mol
Exact Mass358.09
IUPAC NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CC(C)N)n2)o1.Cl
InChIInChI=1S/C14H18N4O3S.ClH/c1-8(15)5-13(20)18-14-17-11(7-22-14)12-4-3-10(21-12)6-16-9(2)19;/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,19)(H,17,18,20);1H
InChIKeyIGIKFLMAZUOGTC-UHFFFAOYSA-N
XLogP2.14
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride
CID 119274954
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119696349
(2S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-amino-4-methylpentanamide
CID 119696379
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 51263114
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119696335
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119696350
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
CID 35889870
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(4-tert-butylphenoxy)acetamide
CID 42378787
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(3-fluorophenyl)acetamide
CID 24570721
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
CID 42377650
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 17398403
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 51263111

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride?
The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride (CID 119696366) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride?
The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride is CC(=O)NCc1ccc(-c2csc(NC(=O)CC(C)N)n2)o1.Cl.
What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride?
The InChIKey is IGIKFLMAZUOGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S.ClH/c1-8(15)5-13(20)18-14-17-11(7-22-14)12-4-3-10(21-12)6-16-9(2)19;/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,19)(H,17,18,20);1H.
What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride?
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride has a molecular weight of 358.85 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride is sourced from PubChem (CID 119696366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).