5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide

C16H22N4O3S2 — CID 54305183

IUPAC5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide
SMILESCCCCCCSc1nsc(NC(=O)NCc2ccco2)c1C(N)=O
InChIInChI=1S/C16H22N4O3S2/c1-2-3-4-5-9-24-15-12(13(17)21)14(25-20-15)19-16(22)18-10-11-7-6-8-23-11/h6-8H,2-5,9-10H2,1H3,(H2,17,21)(H2,18,19,22)
InChIKeySGZMYFZQNLIDPN-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.83
Rot. Bonds10

About 5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide

5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide (PubChem CID 54305183) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide
PubChem CID54305183
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC Name5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide
SMILESCCCCCCSc1nsc(NC(=O)NCc2ccco2)c1C(N)=O
InChIInChI=1S/C16H22N4O3S2/c1-2-3-4-5-9-24-15-12(13(17)21)14(25-20-15)19-16(22)18-10-11-7-6-8-23-11/h6-8H,2-5,9-10H2,1H3,(H2,17,21)(H2,18,19,22)
InChIKeySGZMYFZQNLIDPN-UHFFFAOYSA-N
XLogP3.83
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-hexylsulfanyl-5-(2-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54426527
5-(ethylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid
CID 18550839
hexyl N-(furan-2-ylmethyl)carbamate
CID 67843167
1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109134849
1-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324
1-dodecyl-3-(furan-2-ylmethyl)thiourea
CID 19651410
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
3-hexylsulfanylbenzene-1,2-dicarboxamide
CID 70597719
1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-(furan-2-ylmethyl)urea
CID 22510788
N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide
CID 54789414
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide
CID 60677219

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide (CID 54305183) is 5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide is CCCCCCSc1nsc(NC(=O)NCc2ccco2)c1C(N)=O.
What is the InChIKey of 5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide?
The InChIKey is SGZMYFZQNLIDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-2-3-4-5-9-24-15-12(13(17)21)14(25-20-15)19-16(22)18-10-11-7-6-8-23-11/h6-8H,2-5,9-10H2,1H3,(H2,17,21)(H2,18,19,22).
What are the key properties of 5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide?
5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.83, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 54305183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).