N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide

C12H20N4O2S — CID 71868531

IUPACN,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide
SMILESCc1cnc(CCNC(=O)NCCC(=O)N(C)C)s1
InChIInChI=1S/C12H20N4O2S/c1-9-8-15-10(19-9)4-6-13-12(18)14-7-5-11(17)16(2)3/h8H,4-7H2,1-3H3,(H2,13,14,18)
InChIKeySCSGILYJKUVGRV-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.77
Rot. Bonds6

About N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide

N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide (PubChem CID 71868531) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide
PubChem CID71868531
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide
SMILESCc1cnc(CCNC(=O)NCCC(=O)N(C)C)s1
InChIInChI=1S/C12H20N4O2S/c1-9-8-15-10(19-9)4-6-13-12(18)14-7-5-11(17)16(2)3/h8H,4-7H2,1-3H3,(H2,13,14,18)
InChIKeySCSGILYJKUVGRV-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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide (CID 71868531) is N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide is Cc1cnc(CCNC(=O)NCCC(=O)N(C)C)s1.
What is the InChIKey of N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide?
The InChIKey is SCSGILYJKUVGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9-8-15-10(19-9)4-6-13-12(18)14-7-5-11(17)16(2)3/h8H,4-7H2,1-3H3,(H2,13,14,18).
What are the key properties of N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide?
N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide 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 N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide is sourced from PubChem (CID 71868531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).