(3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide

C6H8ClN3OS — CID 107124450

IUPAC(3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide
SMILESNC(=O)C[C@H](N)c1ncc(Cl)s1
InChIInChI=1S/C6H8ClN3OS/c7-4-2-10-6(12-4)3(8)1-5(9)11/h2-3H,1,8H2,(H2,9,11)/t3-/m0/s1
InChIKeyCYFJXFVPHSXBAN-VKHMYHEASA-N
MW205.67 g/mol
LogP0.67
Rot. Bonds3

About (3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide

(3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide (PubChem CID 107124450) has the molecular formula C6H8ClN3OS and a molecular weight of 205.67 g/mol. Its IUPAC name is (3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide
PubChem CID107124450
Molecular FormulaC6H8ClN3OS
Molecular Weight205.67 g/mol
Exact Mass205.01
IUPAC Name(3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide
SMILESNC(=O)C[C@H](N)c1ncc(Cl)s1
InChIInChI=1S/C6H8ClN3OS/c7-4-2-10-6(12-4)3(8)1-5(9)11/h2-3H,1,8H2,(H2,9,11)/t3-/m0/s1
InChIKeyCYFJXFVPHSXBAN-VKHMYHEASA-N
XLogP0.67
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
CID 107124440
1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine
CID 66220871
(1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine
CID 107126160
ethyl 3-(5-chloro-1,3-thiazol-2-yl)-3-hydroxypropanoate
CID 107125457
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide
CID 104879366
2-amino-1-(5-chloro-1,3-thiazol-2-yl)propan-1-ol
CID 107124475
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(prop-2-enylamino)acetate
CID 107124379
2-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
CID 107124426
(3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide
CID 130936273
(3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide
CID 102841382
3-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoro-3-hydroxypropanoic acid
CID 107125467
(3S)-3-amino-3-(4-chlorophenyl)propanamide
CID 29060060

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide (CID 107124450) is (3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide is NC(=O)C[C@H](N)c1ncc(Cl)s1.
What is the InChIKey of (3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide?
The InChIKey is CYFJXFVPHSXBAN-VKHMYHEASA-N. The full InChI is InChI=1S/C6H8ClN3OS/c7-4-2-10-6(12-4)3(8)1-5(9)11/h2-3H,1,8H2,(H2,9,11)/t3-/m0/s1.
What are the key properties of (3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide?
(3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide has a molecular weight of 205.67 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 107124450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).