N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide

C19H24N4O2S — CID 3219449

IUPACN-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESCc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1
InChIInChI=1S/C19H24N4O2S/c1-12-5-7-13(8-6-12)16(17(24)20-19(2,3)4)23(14-9-10-14)18(25)15-11-26-22-21-15/h5-8,11,14,16H,9-10H2,1-4H3,(H,20,24)
InChIKeyBACHPUQXFUYWDW-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide

N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide (PubChem CID 3219449) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
PubChem CID3219449
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESCc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1
InChIInChI=1S/C19H24N4O2S/c1-12-5-7-13(8-6-12)16(17(24)20-19(2,3)4)23(14-9-10-14)18(25)15-11-26-22-21-15/h5-8,11,14,16H,9-10H2,1-4H3,(H,20,24)
InChIKeyBACHPUQXFUYWDW-UHFFFAOYSA-N
XLogP3.11
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide (CID 3219449) is N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide is Cc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The InChIKey is BACHPUQXFUYWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-12-5-7-13(8-6-12)16(17(24)20-19(2,3)4)23(14-9-10-14)18(25)15-11-26-22-21-15/h5-8,11,14,16H,9-10H2,1-4H3,(H,20,24).
What are the key properties of N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide is sourced from PubChem (CID 3219449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).