2-amino-4-methyl-1,3-thiazole-5-carboximidamide

C5H8N4S — CID 158488916

IUPAC2-amino-4-methyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(N)nc1C
InChIInChI=1S/C5H8N4S/c1-2-3(4(6)7)10-5(8)9-2/h1H3,(H3,6,7)(H2,8,9)
InChIKeyHDBQLIBEHJNMOP-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.32
Rot. Bonds1

About 2-amino-4-methyl-1,3-thiazole-5-carboximidamide

2-amino-4-methyl-1,3-thiazole-5-carboximidamide (PubChem CID 158488916) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-amino-4-methyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-amino-4-methyl-1,3-thiazole-5-carboximidamide
PubChem CID158488916
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name2-amino-4-methyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(N)nc1C
InChIInChI=1S/C5H8N4S/c1-2-3(4(6)7)10-5(8)9-2/h1H3,(H3,6,7)(H2,8,9)
InChIKeyHDBQLIBEHJNMOP-UHFFFAOYSA-N
XLogP0.32
TPSA88.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.32
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'}

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Related Compounds

2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82427595
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboximidamide
CID 82427514
2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide
CID 82426484
2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82425721
2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide
CID 82427214
[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea
CID 676481
2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide
CID 112674174
2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114387542
4,5-dimethyl-1,3-thiazol-2-amine bromide
CID 21234862
2-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82426922
2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82429557

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-amino-4-methyl-1,3-thiazole-5-carboximidamide (CID 158488916) is 2-amino-4-methyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-amino-4-methyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-amino-4-methyl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(N)nc1C.
What is the InChIKey of 2-amino-4-methyl-1,3-thiazole-5-carboximidamide?
The InChIKey is HDBQLIBEHJNMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-2-3(4(6)7)10-5(8)9-2/h1H3,(H3,6,7)(H2,8,9).
What are the key properties of 2-amino-4-methyl-1,3-thiazole-5-carboximidamide?
2-amino-4-methyl-1,3-thiazole-5-carboximidamide has a molecular weight of 156.21 g/mol, XLogP of 0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 158488916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).