(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol

C7H12N2OS — CID 124505318

IUPAC(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc([C@@H](N)[C@H](C)O)cs1
InChIInChI=1S/C7H12N2OS/c1-4(10)7(8)6-3-11-5(2)9-6/h3-4,7,10H,8H2,1-2H3/t4-,7-/m0/s1
InChIKeyVTSLCFNGVMRGIP-FFWSUHOLSA-N
MW172.25 g/mol
LogP0.83
Rot. Bonds2

About (1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol

(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 124505318) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
PubChem CID124505318
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc([C@@H](N)[C@H](C)O)cs1
InChIInChI=1S/C7H12N2OS/c1-4(10)7(8)6-3-11-5(2)9-6/h3-4,7,10H,8H2,1-2H3/t4-,7-/m0/s1
InChIKeyVTSLCFNGVMRGIP-FFWSUHOLSA-N
XLogP0.83
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride
CID 122156676
2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 131162743
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519
(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride
CID 130620258
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 137495706
4-(dibromomethyl)-2-methyl-1,3-thiazole
CID 119088205
2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol
CID 58328504
(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 55270490
2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
1-amino-1-(4-methylthiophen-2-yl)propan-2-ol
CID 55283060
2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
CID 174518821

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (CID 124505318) is (1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is Cc1nc([C@@H](N)[C@H](C)O)cs1.
What is the InChIKey of (1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is VTSLCFNGVMRGIP-FFWSUHOLSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-4(10)7(8)6-3-11-5(2)9-6/h3-4,7,10H,8H2,1-2H3/t4-,7-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 172.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 124505318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).