(2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide

C12H20N4O2S — CID 91652759

IUPAC(2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide
SMILESCc1csc(C(C)NC(=O)N[C@@H](C)C(=O)N(C)C)n1
InChIInChI=1S/C12H20N4O2S/c1-7-6-19-10(13-7)8(2)14-12(18)15-9(3)11(17)16(4)5/h6,8-9H,1-5H3,(H2,14,15,18)/t8?,9-/m0/s1
InChIKeyAXEWLULEXPADHJ-GKAPJAKFSA-N
MW284.38 g/mol
LogP1.29
Rot. Bonds4

About (2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide

(2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide (PubChem CID 91652759) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide
PubChem CID91652759
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name(2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide
SMILESCc1csc(C(C)NC(=O)N[C@@H](C)C(=O)N(C)C)n1
InChIInChI=1S/C12H20N4O2S/c1-7-6-19-10(13-7)8(2)14-12(18)15-9(3)11(17)16(4)5/h6,8-9H,1-5H3,(H2,14,15,18)/t8?,9-/m0/s1
InChIKeyAXEWLULEXPADHJ-GKAPJAKFSA-N
XLogP1.29
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide (CID 91652759) is (2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide is Cc1csc(C(C)NC(=O)N[C@@H](C)C(=O)N(C)C)n1.
What is the InChIKey of (2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide?
The InChIKey is AXEWLULEXPADHJ-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-7-6-19-10(13-7)8(2)14-12(18)15-9(3)11(17)16(4)5/h6,8-9H,1-5H3,(H2,14,15,18)/t8?,9-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide?
(2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide has a molecular weight of 284.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide is sourced from PubChem (CID 91652759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).