N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

C12H10ClN5OS2 — CID 80619477

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2nc3ccc(Cl)cc3s2)s1
InChIInChI=1S/C12H10ClN5OS2/c1-2-14-11-18-17-10(21-11)9(19)16-12-15-7-4-3-6(13)5-8(7)20-12/h3-5H,2H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyNZNXUNNEWQUIOZ-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.49
Rot. Bonds4

About N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619477) has the molecular formula C12H10ClN5OS2 and a molecular weight of 339.83 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619477
Molecular FormulaC12H10ClN5OS2
Molecular Weight339.83 g/mol
Exact Mass339.00
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2nc3ccc(Cl)cc3s2)s1
InChIInChI=1S/C12H10ClN5OS2/c1-2-14-11-18-17-10(21-11)9(19)16-12-15-7-4-3-6(13)5-8(7)20-12/h3-5H,2H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyNZNXUNNEWQUIOZ-UHFFFAOYSA-N
XLogP3.49
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 79790796
N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615093
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
N-(2,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617762
5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide
CID 54783487
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
N-(5-bromo-2-chlorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617307
2-tert-butylsulfanyl-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 112794492
N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 83079441
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phosphonatoacetamide
CID 2075016

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80619477) is N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)Nc2nc3ccc(Cl)cc3s2)s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NZNXUNNEWQUIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5OS2/c1-2-14-11-18-17-10(21-11)9(19)16-12-15-7-4-3-6(13)5-8(7)20-12/h3-5H,2H2,1H3,(H,14,18)(H,15,16,19).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).