2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane

C14H19N3O2S2 — CID 177333382

IUPAC2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane
SMILESCOC1CCC1.NC(=O)CSc1nc2ccc(N)cc2s1
InChIInChI=1S/C9H9N3OS2.C5H10O/c10-5-1-2-6-7(3-5)15-9(12-6)14-4-8(11)13;1-6-5-3-2-4-5/h1-3H,4,10H2,(H2,11,13);5H,2-4H2,1H3
InChIKeyRLOWYVBDCHSMSV-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.64
Rot. Bonds4

About 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane

2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane (PubChem CID 177333382) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane.

Molecular Properties

Compound Name2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane
PubChem CID177333382
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane
SMILESCOC1CCC1.NC(=O)CSc1nc2ccc(N)cc2s1
InChIInChI=1S/C9H9N3OS2.C5H10O/c10-5-1-2-6-7(3-5)15-9(12-6)14-4-8(11)13;1-6-5-3-2-4-5/h1-3H,4,10H2,(H2,11,13);5H,2-4H2,1H3
InChIKeyRLOWYVBDCHSMSV-UHFFFAOYSA-N
XLogP2.64
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;3-methoxyoxane
CID 177333371
methyl 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetate
CID 760825
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(cyclopropylmethyl)acetamide
CID 61357673
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclohexylacetamide
CID 883492
5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide
CID 114281764
methyl 2-[[6-[(4-methoxycyclohexanecarbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate
CID 5004223
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-pentan-3-ylacetamide
CID 61489831
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 61486339
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-butylacetamide
CID 5204003
3-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid
CID 57063491
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-phenylethanone;2-methyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine
CID 21209153
N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide
CID 62115980

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane?
The IUPAC name of 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane (CID 177333382) is 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane.
What is the SMILES notation for 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane?
The canonical SMILES for 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane is COC1CCC1.NC(=O)CSc1nc2ccc(N)cc2s1.
What is the InChIKey of 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane?
The InChIKey is RLOWYVBDCHSMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS2.C5H10O/c10-5-1-2-6-7(3-5)15-9(12-6)14-4-8(11)13;1-6-5-3-2-4-5/h1-3H,4,10H2,(H2,11,13);5H,2-4H2,1H3.
What are the key properties of 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane?
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane has a molecular weight of 325.46 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane is sourced from PubChem (CID 177333382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).