N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide

C12H14ClN3OS2 — CID 166222777

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2nnc(C(C)(C)C)s2)c1Cl
InChIInChI=1S/C12H14ClN3OS2/c1-6-5-18-8(7(6)13)9(17)14-11-16-15-10(19-11)12(2,3)4/h5H,1-4H3,(H,14,16,17)
InChIKeyCHTIKQRJLULXEM-UHFFFAOYSA-N
MW315.85 g/mol
LogP4.11
Rot. Bonds2

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 166222777) has the molecular formula C12H14ClN3OS2 and a molecular weight of 315.85 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID166222777
Molecular FormulaC12H14ClN3OS2
Molecular Weight315.85 g/mol
Exact Mass315.03
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2nnc(C(C)(C)C)s2)c1Cl
InChIInChI=1S/C12H14ClN3OS2/c1-6-5-18-8(7(6)13)9(17)14-11-16-15-10(19-11)12(2,3)4/h5H,1-4H3,(H,14,16,17)
InChIKeyCHTIKQRJLULXEM-UHFFFAOYSA-N
XLogP4.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide (CID 166222777) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)Nc2nnc(C(C)(C)C)s2)c1Cl.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is CHTIKQRJLULXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS2/c1-6-5-18-8(7(6)13)9(17)14-11-16-15-10(19-11)12(2,3)4/h5H,1-4H3,(H,14,16,17).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 315.85 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 166222777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).