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

C12H20N4O2S — CID 77089756

IUPAC2-(dimethylcarbamoylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CNC(=O)N(C)C)sc1C
InChIInChI=1S/C12H20N4O2S/c1-8-9(2)19-11(15-8)5-6-13-10(17)7-14-12(18)16(3)4/h5-7H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyOBJPAIVWIPIBSI-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.69
Rot. Bonds5

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

2-(dimethylcarbamoylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 77089756) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID77089756
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-(dimethylcarbamoylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CNC(=O)N(C)C)sc1C
InChIInChI=1S/C12H20N4O2S/c1-8-9(2)19-11(15-8)5-6-13-10(17)7-14-12(18)16(3)4/h5-7H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyOBJPAIVWIPIBSI-UHFFFAOYSA-N
XLogP0.69
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 77089756) is 2-(dimethylcarbamoylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide is Cc1nc(CCNC(=O)CNC(=O)N(C)C)sc1C.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is OBJPAIVWIPIBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-8-9(2)19-11(15-8)5-6-13-10(17)7-14-12(18)16(3)4/h5-7H2,1-4H3,(H,13,17)(H,14,18).
What are the key properties of 2-(dimethylcarbamoylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
2-(dimethylcarbamoylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 284.38 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 77089756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).