2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide

C10H16N4O2S — CID 119058752

IUPAC2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)CN(C)C(N)=O)sc1C
InChIInChI=1S/C10H16N4O2S/c1-6-7(2)17-9(13-6)4-12-8(15)5-14(3)10(11)16/h4-5H2,1-3H3,(H2,11,16)(H,12,15)
InChIKeyJRRWDFTTYBBJJJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.39
Rot. Bonds4

About 2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide

2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 119058752) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID119058752
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)CN(C)C(N)=O)sc1C
InChIInChI=1S/C10H16N4O2S/c1-6-7(2)17-9(13-6)4-12-8(15)5-14(3)10(11)16/h4-5H2,1-3H3,(H2,11,16)(H,12,15)
InChIKeyJRRWDFTTYBBJJJ-UHFFFAOYSA-N
XLogP0.39
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide (CID 119058752) is 2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide is Cc1nc(CNC(=O)CN(C)C(N)=O)sc1C.
What is the InChIKey of 2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is JRRWDFTTYBBJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-6-7(2)17-9(13-6)4-12-8(15)5-14(3)10(11)16/h4-5H2,1-3H3,(H2,11,16)(H,12,15).
What are the key properties of 2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide?
2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 256.33 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamoyl(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 119058752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).