1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine

C5H8N4OS — CID 104874351

IUPAC1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine
SMILESN/C(=N\Cc1cncs1)NO
InChIInChI=1S/C5H8N4OS/c6-5(9-10)8-2-4-1-7-3-11-4/h1,3,10H,2H2,(H3,6,8,9)
InChIKeyBCTUIBTVNDYYRE-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.06
Rot. Bonds2

About 1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine

1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine (PubChem CID 104874351) has the molecular formula C5H8N4OS and a molecular weight of 172.21 g/mol. Its IUPAC name is 1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine
PubChem CID104874351
Molecular FormulaC5H8N4OS
Molecular Weight172.21 g/mol
Exact Mass172.04
IUPAC Name1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine
SMILESN/C(=N\Cc1cncs1)NO
InChIInChI=1S/C5H8N4OS/c6-5(9-10)8-2-4-1-7-3-11-4/h1,3,10H,2H2,(H3,6,8,9)
InChIKeyBCTUIBTVNDYYRE-UHFFFAOYSA-N
XLogP-0.06
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-thiazol-5-ylmethyl)hydroxylamine
CID 82687431
2-[2-(1,3-thiazol-5-yl)ethyl]guanidine
CID 141083640
1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine
CID 130736483
2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine
CID 106015829
2-(1,3-thiazol-5-yl)ethanethioamide
CID 112640496
1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 62483333
CID 167638671
CID 167638671
4-(1,3-thiazol-5-yl)butanamide
CID 66579232
2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 103391134
2-[(4-bromophenyl)methyl]-1-hydroxyguanidine
CID 62481269
1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide
CID 106096039

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine?
The IUPAC name of 1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine (CID 104874351) is 1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine.
What is the SMILES notation for 1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine?
The canonical SMILES for 1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine is N/C(=N\Cc1cncs1)NO.
What is the InChIKey of 1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine?
The InChIKey is BCTUIBTVNDYYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4OS/c6-5(9-10)8-2-4-1-7-3-11-4/h1,3,10H,2H2,(H3,6,8,9).
What are the key properties of 1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine?
1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine has a molecular weight of 172.21 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine is sourced from PubChem (CID 104874351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).