[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid

C10H9ClN2O4S2 — CID 118482423

IUPAC[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid
SMILESNCc1nc(-c2ccc(Cl)s2)cs1.O=C(O)C(=O)O
InChIInChI=1S/C8H7ClN2S2.C2H2O4/c9-7-2-1-6(13-7)5-4-12-8(3-10)11-5;3-1(4)2(5)6/h1-2,4H,3,10H2;(H,3,4)(H,5,6)
InChIKeyIKLDNCQZDZKVQN-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.14
Rot. Bonds2

About [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid

[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid (PubChem CID 118482423) has the molecular formula C10H9ClN2O4S2 and a molecular weight of 320.78 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid
PubChem CID118482423
Molecular FormulaC10H9ClN2O4S2
Molecular Weight320.78 g/mol
Exact Mass319.97
IUPAC Name[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid
SMILESNCc1nc(-c2ccc(Cl)s2)cs1.O=C(O)C(=O)O
InChIInChI=1S/C8H7ClN2S2.C2H2O4/c9-7-2-1-6(13-7)5-4-12-8(3-10)11-5;3-1(4)2(5)6/h1-2,4H,3,10H2;(H,3,4)(H,5,6)
InChIKeyIKLDNCQZDZKVQN-UHFFFAOYSA-N
XLogP2.14
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one
CID 94281595
2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 82122307
3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 82121362
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 61339170
4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
CID 139697878
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61336911
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 2373735
4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide
CID 116904013
2-[2-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2158860
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62366878

Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid?
The IUPAC name of [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid (CID 118482423) is [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid is NCc1nc(-c2ccc(Cl)s2)cs1.O=C(O)C(=O)O.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid?
The InChIKey is IKLDNCQZDZKVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S2.C2H2O4/c9-7-2-1-6(13-7)5-4-12-8(3-10)11-5;3-1(4)2(5)6/h1-2,4H,3,10H2;(H,3,4)(H,5,6).
What are the key properties of [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid?
[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid has a molecular weight of 320.78 g/mol, XLogP of 2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid is sourced from PubChem (CID 118482423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).