N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

C16H18N6O2S2 — CID 138384975

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESCc1noc(C)c1-c1nc2c(s1)CCC(C(=O)NCc1nnc(N)s1)C2
InChIInChI=1S/C16H18N6O2S2/c1-7-13(8(2)24-22-7)15-19-10-5-9(3-4-11(10)25-15)14(23)18-6-12-20-21-16(17)26-12/h9H,3-6H2,1-2H3,(H2,17,21)(H,18,23)
InChIKeyNLJPEFGNGKWGSN-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.27
Rot. Bonds4

About N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (PubChem CID 138384975) has the molecular formula C16H18N6O2S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
PubChem CID138384975
Molecular FormulaC16H18N6O2S2
Molecular Weight390.49 g/mol
Exact Mass390.09
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESCc1noc(C)c1-c1nc2c(s1)CCC(C(=O)NCc1nnc(N)s1)C2
InChIInChI=1S/C16H18N6O2S2/c1-7-13(8(2)24-22-7)15-19-10-5-9(3-4-11(10)25-15)14(23)18-6-12-20-21-16(17)26-12/h9H,3-6H2,1-2H3,(H2,17,21)(H,18,23)
InChIKeyNLJPEFGNGKWGSN-UHFFFAOYSA-N
XLogP2.27
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (CID 138384975) is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is Cc1noc(C)c1-c1nc2c(s1)CCC(C(=O)NCc1nnc(N)s1)C2.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The InChIKey is NLJPEFGNGKWGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S2/c1-7-13(8(2)24-22-7)15-19-10-5-9(3-4-11(10)25-15)14(23)18-6-12-20-21-16(17)26-12/h9H,3-6H2,1-2H3,(H2,17,21)(H,18,23).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 138384975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).