N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C8H14N4OS — CID 80615607

IUPACN-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC(C)(C)C)s1
InChIInChI=1S/C8H14N4OS/c1-8(2,3)10-5(13)6-11-12-7(9-4)14-6/h1-4H3,(H,9,12)(H,10,13)
InChIKeyFBLLDIZYVDCLKF-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.11
Rot. Bonds2

About N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615607) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615607
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC(C)(C)C)s1
InChIInChI=1S/C8H14N4OS/c1-8(2,3)10-5(13)6-11-12-7(9-4)14-6/h1-4H3,(H,9,12)(H,10,13)
InChIKeyFBLLDIZYVDCLKF-UHFFFAOYSA-N
XLogP1.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615607) is N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FBLLDIZYVDCLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-8(2,3)10-5(13)6-11-12-7(9-4)14-6/h1-4H3,(H,9,12)(H,10,13).
What are the key properties of N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).