2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid

C7H10N4O2S — CID 174518821

IUPAC2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
SMILESCc1nc(C(N=C(N)N)C(=O)O)cs1
InChIInChI=1S/C7H10N4O2S/c1-3-10-4(2-14-3)5(6(12)13)11-7(8)9/h2,5H,1H3,(H,12,13)(H4,8,9,11)
InChIKeyIWTXUTJOFJRDMN-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.15
Rot. Bonds3

About 2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid

2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid (PubChem CID 174518821) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
PubChem CID174518821
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC Name2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
SMILESCc1nc(C(N=C(N)N)C(=O)O)cs1
InChIInChI=1S/C7H10N4O2S/c1-3-10-4(2-14-3)5(6(12)13)11-7(8)9/h2,5H,1H3,(H,12,13)(H4,8,9,11)
InChIKeyIWTXUTJOFJRDMN-UHFFFAOYSA-N
XLogP-0.15
TPSA114.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.15
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

(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 55270490
(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 124505318
1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride
CID 122156676
ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 104862981
methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43723777
(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride
CID 130620258
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519
4-(dibromomethyl)-2-methyl-1,3-thiazole
CID 119088205
(3S)-3-acetamido-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 104862990
2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol
CID 58328504
2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 131162743

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid (CID 174518821) is 2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid is Cc1nc(C(N=C(N)N)C(=O)O)cs1.
What is the InChIKey of 2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is IWTXUTJOFJRDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c1-3-10-4(2-14-3)5(6(12)13)11-7(8)9/h2,5H,1H3,(H,12,13)(H4,8,9,11).
What are the key properties of 2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid?
2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 214.25 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 174518821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).