2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol

C6H11N3OS — CID 107784621

IUPAC2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
SMILESNC(CO)CSc1ncc[nH]1
InChIInChI=1S/C6H11N3OS/c7-5(3-10)4-11-6-8-1-2-9-6/h1-2,5,10H,3-4,7H2,(H,8,9)
InChIKeyJVUPAWLIGXIGCJ-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.18
Rot. Bonds4

About 2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol

2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol (PubChem CID 107784621) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
PubChem CID107784621
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
SMILESNC(CO)CSc1ncc[nH]1
InChIInChI=1S/C6H11N3OS/c7-5(3-10)4-11-6-8-1-2-9-6/h1-2,5,10H,3-4,7H2,(H,8,9)
InChIKeyJVUPAWLIGXIGCJ-UHFFFAOYSA-N
XLogP-0.18
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(1H-imidazol-2-ylsulfanyl)propanoate
CID 107781808
2-chloro-3-(1H-imidazol-2-ylsulfanyl)propanoic acid
CID 107782758
3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 19031092
4-(1H-imidazol-2-ylsulfanyl)butan-1-ol
CID 107780906
1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine
CID 107784074
1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine
CID 107783836
3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol
CID 107783953
methyl 3-(1H-imidazol-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107781960
(NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine
CID 119081896
1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol
CID 107780891
2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol
CID 64806306
3-(1H-imidazol-2-ylsulfanyl)-2-(propylamino)propanoic acid
CID 107781988

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol?
The IUPAC name of 2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol (CID 107784621) is 2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol is NC(CO)CSc1ncc[nH]1.
What is the InChIKey of 2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol?
The InChIKey is JVUPAWLIGXIGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c7-5(3-10)4-11-6-8-1-2-9-6/h1-2,5,10H,3-4,7H2,(H,8,9).
What are the key properties of 2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol?
2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol has a molecular weight of 173.24 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 107784621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).