1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride

C7H14Cl2N2OS — CID 56773666

IUPAC1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride
SMILESCC(O)CNCc1nccs1.Cl.Cl
InChIInChI=1S/C7H12N2OS.2ClH/c1-6(10)4-8-5-7-9-2-3-11-7;;/h2-3,6,8,10H,4-5H2,1H3;2*1H
InChIKeyLIPHBNXWJDQPNG-UHFFFAOYSA-N
MW245.17 g/mol
LogP1.46
Rot. Bonds4

About 1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride

1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride (PubChem CID 56773666) has the molecular formula C7H14Cl2N2OS and a molecular weight of 245.17 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride
PubChem CID56773666
Molecular FormulaC7H14Cl2N2OS
Molecular Weight245.17 g/mol
Exact Mass244.02
IUPAC Name1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride
SMILESCC(O)CNCc1nccs1.Cl.Cl
InChIInChI=1S/C7H12N2OS.2ClH/c1-6(10)4-8-5-7-9-2-3-11-7;;/h2-3,6,8,10H,4-5H2,1H3;2*1H
InChIKeyLIPHBNXWJDQPNG-UHFFFAOYSA-N
XLogP1.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 62669491
2-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 61286207
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 65232884
1-(1,3-thiazol-2-ylamino)propan-2-ol
CID 43392072
(2S)-1-[(5-iodo-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 125142780
1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 155973425
(2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 154843998
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61326610
N,N-dimethyl-N'-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55208645
4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine
CID 62477835
2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol
CID 61284615

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride?
The IUPAC name of 1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride (CID 56773666) is 1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride is CC(O)CNCc1nccs1.Cl.Cl.
What is the InChIKey of 1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride?
The InChIKey is LIPHBNXWJDQPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS.2ClH/c1-6(10)4-8-5-7-9-2-3-11-7;;/h2-3,6,8,10H,4-5H2,1H3;2*1H.
What are the key properties of 1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride?
1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride has a molecular weight of 245.17 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride is sourced from PubChem (CID 56773666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).