1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride

C7H14Cl2N2OS — CID 122156676

IUPAC1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride
SMILESCc1nc(C(N)C(C)O)cs1.Cl.Cl
InChIInChI=1S/C7H12N2OS.2ClH/c1-4(10)7(8)6-3-11-5(2)9-6;;/h3-4,7,10H,8H2,1-2H3;2*1H
InChIKeyVYBKVAYCRIHHNZ-UHFFFAOYSA-N
MW245.17 g/mol
LogP1.68
Rot. Bonds2

About 1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride

1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride (PubChem CID 122156676) has the molecular formula C7H14Cl2N2OS and a molecular weight of 245.17 g/mol. Its IUPAC name is 1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride
PubChem CID122156676
Molecular FormulaC7H14Cl2N2OS
Molecular Weight245.17 g/mol
Exact Mass244.02
IUPAC Name1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride
SMILESCc1nc(C(N)C(C)O)cs1.Cl.Cl
InChIInChI=1S/C7H12N2OS.2ClH/c1-4(10)7(8)6-3-11-5(2)9-6;;/h3-4,7,10H,8H2,1-2H3;2*1H
InChIKeyVYBKVAYCRIHHNZ-UHFFFAOYSA-N
XLogP1.68
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 124505318
2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 131162743
(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride
CID 130620258
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519
(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 1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride?
The IUPAC name of 1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride (CID 122156676) is 1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride is Cc1nc(C(N)C(C)O)cs1.Cl.Cl.
What is the InChIKey of 1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride?
The InChIKey is VYBKVAYCRIHHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS.2ClH/c1-4(10)7(8)6-3-11-5(2)9-6;;/h3-4,7,10H,8H2,1-2H3;2*1H.
What are the key properties of 1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride?
1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride has a molecular weight of 245.17 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride is sourced from PubChem (CID 122156676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).