2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide

C14H25N5OS — CID 91831205

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
SMILESCC(C)c1nnsc1CNC(=O)CN1CCC(N(C)C)C1
InChIInChI=1S/C14H25N5OS/c1-10(2)14-12(21-17-16-14)7-15-13(20)9-19-6-5-11(8-19)18(3)4/h10-11H,5-9H2,1-4H3,(H,15,20)
InChIKeyBHJQPOBBYRUCFF-UHFFFAOYSA-N
MW311.46 g/mol
LogP0.91
Rot. Bonds6

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide (PubChem CID 91831205) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
PubChem CID91831205
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
SMILESCC(C)c1nnsc1CNC(=O)CN1CCC(N(C)C)C1
InChIInChI=1S/C14H25N5OS/c1-10(2)14-12(21-17-16-14)7-15-13(20)9-19-6-5-11(8-19)18(3)4/h10-11H,5-9H2,1-4H3,(H,15,20)
InChIKeyBHJQPOBBYRUCFF-UHFFFAOYSA-N
XLogP0.91
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide (CID 91831205) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide is CC(C)c1nnsc1CNC(=O)CN1CCC(N(C)C)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
The InChIKey is BHJQPOBBYRUCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-10(2)14-12(21-17-16-14)7-15-13(20)9-19-6-5-11(8-19)18(3)4/h10-11H,5-9H2,1-4H3,(H,15,20).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide has a molecular weight of 311.46 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 91831205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).