N,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide

C8H13N3OS — CID 89301602

IUPACN,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)C(C)C
InChIInChI=1S/C8H13N3OS/c1-5(2)11(4)8(12)7-6(3)9-10-13-7/h5H,1-4H3
InChIKeyAKEQXFBLIMJRTP-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.33
Rot. Bonds2

About N,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide

N,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 89301602) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide
PubChem CID89301602
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)C(C)C
InChIInChI=1S/C8H13N3OS/c1-5(2)11(4)8(12)7-6(3)9-10-13-7/h5H,1-4H3
InChIKeyAKEQXFBLIMJRTP-UHFFFAOYSA-N
XLogP1.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide (CID 89301602) is N,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(C)C(C)C.
What is the InChIKey of N,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is AKEQXFBLIMJRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5(2)11(4)8(12)7-6(3)9-10-13-7/h5H,1-4H3.
What are the key properties of N,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide?
N,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 199.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 89301602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).