[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone

C13H12N4OS2 — CID 46901375

IUPAC[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone
SMILESCCNc1nc(N)c(C(=O)c2nc3ccccc3s2)s1
InChIInChI=1S/C13H12N4OS2/c1-2-15-13-17-11(14)10(20-13)9(18)12-16-7-5-3-4-6-8(7)19-12/h3-6H,2,14H2,1H3,(H,15,17)
InChIKeyWOFHFBXXMDYFDX-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.00
Rot. Bonds4

About [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone

[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone (PubChem CID 46901375) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone
PubChem CID46901375
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone
SMILESCCNc1nc(N)c(C(=O)c2nc3ccccc3s2)s1
InChIInChI=1S/C13H12N4OS2/c1-2-15-13-17-11(14)10(20-13)9(18)12-16-7-5-3-4-6-8(7)19-12/h3-6H,2,14H2,1H3,(H,15,17)
InChIKeyWOFHFBXXMDYFDX-UHFFFAOYSA-N
XLogP3.00
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 116668339
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 126496423
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide
CID 50741983
4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 116669038
4-amino-2-(ethylamino)-N-(2-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116665052
4-amino-2-(ethylamino)-N-(3-ethylphenyl)-1,3-thiazole-5-carboxamide
CID 116668766
4-amino-2-(ethylamino)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666497
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide
CID 22887490
4-amino-N-ethyl-2-(ethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116665070
4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668197

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone?
The IUPAC name of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone (CID 46901375) is [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone.
What is the SMILES notation for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone?
The canonical SMILES for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone is CCNc1nc(N)c(C(=O)c2nc3ccccc3s2)s1.
What is the InChIKey of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone?
The InChIKey is WOFHFBXXMDYFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-2-15-13-17-11(14)10(20-13)9(18)12-16-7-5-3-4-6-8(7)19-12/h3-6H,2,14H2,1H3,(H,15,17).
What are the key properties of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone?
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone has a molecular weight of 304.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone is sourced from PubChem (CID 46901375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).