3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride

C11H21Cl2N3OS — CID 119890095

IUPAC3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
SMILESCc1nc(C(C)(C)NC(=O)CCN)sc1C.Cl.Cl
InChIInChI=1S/C11H19N3OS.2ClH/c1-7-8(2)16-10(13-7)11(3,4)14-9(15)5-6-12;;/h5-6,12H2,1-4H3,(H,14,15);2*1H
InChIKeySMDWECLWFBGOEX-UHFFFAOYSA-N
MW314.28 g/mol
LogP2.30
Rot. Bonds4

About 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride

3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride (PubChem CID 119890095) has the molecular formula C11H21Cl2N3OS and a molecular weight of 314.28 g/mol. Its IUPAC name is 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
PubChem CID119890095
Molecular FormulaC11H21Cl2N3OS
Molecular Weight314.28 g/mol
Exact Mass313.08
IUPAC Name3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
SMILESCc1nc(C(C)(C)NC(=O)CCN)sc1C.Cl.Cl
InChIInChI=1S/C11H19N3OS.2ClH/c1-7-8(2)16-10(13-7)11(3,4)14-9(15)5-6-12;;/h5-6,12H2,1-4H3,(H,14,15);2*1H
InChIKeySMDWECLWFBGOEX-UHFFFAOYSA-N
XLogP2.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride (CID 119890095) is 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride is Cc1nc(C(C)(C)NC(=O)CCN)sc1C.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride?
The InChIKey is SMDWECLWFBGOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS.2ClH/c1-7-8(2)16-10(13-7)11(3,4)14-9(15)5-6-12;;/h5-6,12H2,1-4H3,(H,14,15);2*1H.
What are the key properties of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride?
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride has a molecular weight of 314.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119890095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).