5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide

C13H22N4O2S2 — CID 54260790

IUPAC5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide
SMILESCC(C)CCCSc1nsc(NC(=O)N(C)C)c1C(N)=O
InChIInChI=1S/C13H22N4O2S2/c1-8(2)6-5-7-20-12-9(10(14)18)11(21-16-12)15-13(19)17(3)4/h8H,5-7H2,1-4H3,(H2,14,18)(H,15,19)
InChIKeyRDIVKYUQQZXHLS-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.86
Rot. Bonds7

About 5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide

5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide (PubChem CID 54260790) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide
PubChem CID54260790
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide
SMILESCC(C)CCCSc1nsc(NC(=O)N(C)C)c1C(N)=O
InChIInChI=1S/C13H22N4O2S2/c1-8(2)6-5-7-20-12-9(10(14)18)11(21-16-12)15-13(19)17(3)4/h8H,5-7H2,1-4H3,(H2,14,18)(H,15,19)
InChIKeyRDIVKYUQQZXHLS-UHFFFAOYSA-N
XLogP2.86
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide
CID 54041143
3-hexylsulfanyl-5-(2-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54426527
3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 18550614
5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide
CID 18550161
5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide
CID 57163248
3-[(4-tert-butylphenyl)methylsulfanyl]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid
CID 18549928
3-cyclopentylsulfanyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid
CID 18549868
3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide
CID 54757315
5-(ethylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid
CID 18550839
5-[2-(dimethylamino)ethylcarbamoylamino]-3-hexylsulfanyl-1,2-thiazole-4-carboxylic acid
CID 18550927
5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide
CID 134096897
3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54146486

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide (CID 54260790) is 5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide is CC(C)CCCSc1nsc(NC(=O)N(C)C)c1C(N)=O.
What is the InChIKey of 5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide?
The InChIKey is RDIVKYUQQZXHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-8(2)6-5-7-20-12-9(10(14)18)11(21-16-12)15-13(19)17(3)4/h8H,5-7H2,1-4H3,(H2,14,18)(H,15,19).
What are the key properties of 5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide?
5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 54260790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).