(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride

C11H20Cl2N4O2S — CID 119830551

IUPAC(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
SMILESC[C@H](N)C(=O)Nc1nc(CN2CCOCC2)cs1.Cl.Cl
InChIInChI=1S/C11H18N4O2S.2ClH/c1-8(12)10(16)14-11-13-9(7-18-11)6-15-2-4-17-5-3-15;;/h7-8H,2-6,12H2,1H3,(H,13,14,16);2*1H/t8-;;/m0../s1
InChIKeyVLDDBQPZICBDMH-JZGIKJSDSA-N
MW343.28 g/mol
LogP1.10
Rot. Bonds4

About (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride

(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride (PubChem CID 119830551) has the molecular formula C11H20Cl2N4O2S and a molecular weight of 343.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
PubChem CID119830551
Molecular FormulaC11H20Cl2N4O2S
Molecular Weight343.28 g/mol
Exact Mass342.07
IUPAC Name(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
SMILESC[C@H](N)C(=O)Nc1nc(CN2CCOCC2)cs1.Cl.Cl
InChIInChI=1S/C11H18N4O2S.2ClH/c1-8(12)10(16)14-11-13-9(7-18-11)6-15-2-4-17-5-3-15;;/h7-8H,2-6,12H2,1H3,(H,13,14,16);2*1H/t8-;;/m0../s1
InChIKeyVLDDBQPZICBDMH-JZGIKJSDSA-N
XLogP1.10
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119831183
2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 55832085
(2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 30547645
1-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119830558
(2S)-2-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methylpentanamide
CID 119840500
2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 29324595
2-(4-hydroxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78837285
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 29324285

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride (CID 119830551) is (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride is C[C@H](N)C(=O)Nc1nc(CN2CCOCC2)cs1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride?
The InChIKey is VLDDBQPZICBDMH-JZGIKJSDSA-N. The full InChI is InChI=1S/C11H18N4O2S.2ClH/c1-8(12)10(16)14-11-13-9(7-18-11)6-15-2-4-17-5-3-15;;/h7-8H,2-6,12H2,1H3,(H,13,14,16);2*1H/t8-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride?
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride has a molecular weight of 343.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119830551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).