(2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide

C13H22N4O2S — CID 86819563

IUPAC(2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide
SMILESCCc1cnc(CCNC(=O)N[C@@H](C)C(=O)N(C)C)s1
InChIInChI=1S/C13H22N4O2S/c1-5-10-8-15-11(20-10)6-7-14-13(19)16-9(2)12(18)17(3)4/h8-9H,5-7H2,1-4H3,(H2,14,16,19)/t9-/m0/s1
InChIKeyMHWPBFLKLTXKLZ-VIFPVBQESA-N
MW298.41 g/mol
LogP1.02
Rot. Bonds6

About (2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide

(2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide (PubChem CID 86819563) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is (2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide
PubChem CID86819563
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name(2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide
SMILESCCc1cnc(CCNC(=O)N[C@@H](C)C(=O)N(C)C)s1
InChIInChI=1S/C13H22N4O2S/c1-5-10-8-15-11(20-10)6-7-14-13(19)16-9(2)12(18)17(3)4/h8-9H,5-7H2,1-4H3,(H2,14,16,19)/t9-/m0/s1
InChIKeyMHWPBFLKLTXKLZ-VIFPVBQESA-N
XLogP1.02
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide (CID 86819563) is (2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide is CCc1cnc(CCNC(=O)N[C@@H](C)C(=O)N(C)C)s1.
What is the InChIKey of (2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide?
The InChIKey is MHWPBFLKLTXKLZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-5-10-8-15-11(20-10)6-7-14-13(19)16-9(2)12(18)17(3)4/h8-9H,5-7H2,1-4H3,(H2,14,16,19)/t9-/m0/s1.
What are the key properties of (2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide?
(2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 86819563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).