(2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide

C9H16N4OS — CID 39794308

IUPAC(2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide
SMILESC[C@H](NCc1cnc(N(C)C)s1)C(N)=O
InChIInChI=1S/C9H16N4OS/c1-6(8(10)14)11-4-7-5-12-9(15-7)13(2)3/h5-6,11H,4H2,1-3H3,(H2,10,14)/t6-/m0/s1
InChIKeyYZILYEDXXZRXFB-LURJTMIESA-N
MW228.32 g/mol
LogP0.17
Rot. Bonds5

About (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide

(2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide (PubChem CID 39794308) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide
PubChem CID39794308
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name(2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide
SMILESC[C@H](NCc1cnc(N(C)C)s1)C(N)=O
InChIInChI=1S/C9H16N4OS/c1-6(8(10)14)11-4-7-5-12-9(15-7)13(2)3/h5-6,11H,4H2,1-3H3,(H2,10,14)/t6-/m0/s1
InChIKeyYZILYEDXXZRXFB-LURJTMIESA-N
XLogP0.17
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide?
The IUPAC name of (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide (CID 39794308) is (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide.
What is the SMILES notation for (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide?
The canonical SMILES for (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide is C[C@H](NCc1cnc(N(C)C)s1)C(N)=O.
What is the InChIKey of (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide?
The InChIKey is YZILYEDXXZRXFB-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N4OS/c1-6(8(10)14)11-4-7-5-12-9(15-7)13(2)3/h5-6,11H,4H2,1-3H3,(H2,10,14)/t6-/m0/s1.
What are the key properties of (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide?
(2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide has a molecular weight of 228.32 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide is sourced from PubChem (CID 39794308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).