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

C12H18N4O2S — CID 3219461

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)CN(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C12H18N4O2S/c1-12(2,3)13-10(17)6-16(8-4-5-8)11(18)9-7-19-15-14-9/h7-8H,4-6H2,1-3H3,(H,13,17)
InChIKeyYSUIZHMWOWTCBS-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.06
Rot. Bonds4

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

N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide (PubChem CID 3219461) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
PubChem CID3219461
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)CN(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C12H18N4O2S/c1-12(2,3)13-10(17)6-16(8-4-5-8)11(18)9-7-19-15-14-9/h7-8H,4-6H2,1-3H3,(H,13,17)
InChIKeyYSUIZHMWOWTCBS-UHFFFAOYSA-N
XLogP1.06
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.06
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)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide (CID 3219461) is N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide is CC(C)(C)NC(=O)CN(C(=O)c1csnn1)C1CC1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The InChIKey is YSUIZHMWOWTCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-12(2,3)13-10(17)6-16(8-4-5-8)11(18)9-7-19-15-14-9/h7-8H,4-6H2,1-3H3,(H,13,17).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide is sourced from PubChem (CID 3219461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).