2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide

C11H18N4O2S — CID 70728380

IUPAC2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(C)c1nc(CN(C)C(=O)CNC(N)=O)cs1
InChIInChI=1S/C11H18N4O2S/c1-7(2)10-14-8(6-18-10)5-15(3)9(16)4-13-11(12)17/h6-7H,4-5H2,1-3H3,(H3,12,13,17)
InChIKeyVFJMZSSXKYKFIM-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.89
Rot. Bonds5

About 2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide

2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 70728380) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID70728380
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(C)c1nc(CN(C)C(=O)CNC(N)=O)cs1
InChIInChI=1S/C11H18N4O2S/c1-7(2)10-14-8(6-18-10)5-15(3)9(16)4-13-11(12)17/h6-7H,4-5H2,1-3H3,(H3,12,13,17)
InChIKeyVFJMZSSXKYKFIM-UHFFFAOYSA-N
XLogP0.89
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 70728380) is 2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide is CC(C)c1nc(CN(C)C(=O)CNC(N)=O)cs1.
What is the InChIKey of 2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is VFJMZSSXKYKFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-7(2)10-14-8(6-18-10)5-15(3)9(16)4-13-11(12)17/h6-7H,4-5H2,1-3H3,(H3,12,13,17).
What are the key properties of 2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 270.36 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 70728380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).