2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide

C12H20N4O2S — CID 77092075

IUPAC2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
SMILESCc1ncsc1CCCNC(=O)CNC(=O)N(C)C
InChIInChI=1S/C12H20N4O2S/c1-9-10(19-8-15-9)5-4-6-13-11(17)7-14-12(18)16(2)3/h8H,4-7H2,1-3H3,(H,13,17)(H,14,18)
InChIKeyFIKKTWFZBRUTPL-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.77
Rot. Bonds6

About 2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide

2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide (PubChem CID 77092075) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
PubChem CID77092075
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
SMILESCc1ncsc1CCCNC(=O)CNC(=O)N(C)C
InChIInChI=1S/C12H20N4O2S/c1-9-10(19-8-15-9)5-4-6-13-11(17)7-14-12(18)16(2)3/h8H,4-7H2,1-3H3,(H,13,17)(H,14,18)
InChIKeyFIKKTWFZBRUTPL-UHFFFAOYSA-N
XLogP0.77
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide (CID 77092075) is 2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide is Cc1ncsc1CCCNC(=O)CNC(=O)N(C)C.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
The InChIKey is FIKKTWFZBRUTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9-10(19-8-15-9)5-4-6-13-11(17)7-14-12(18)16(2)3/h8H,4-7H2,1-3H3,(H,13,17)(H,14,18).
What are the key properties of 2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide has a molecular weight of 284.38 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide is sourced from PubChem (CID 77092075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).