4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide

C16H28N4OS2 — CID 46287500

IUPAC4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCCn1c(N)c(C(=O)NC2CCCC2)sc1=S
InChIInChI=1S/C16H28N4OS2/c1-3-19(4-2)10-7-11-20-14(17)13(23-16(20)22)15(21)18-12-8-5-6-9-12/h12H,3-11,17H2,1-2H3,(H,18,21)
InChIKeyBUBOFUPYLHCIRA-UHFFFAOYSA-N
MW356.56 g/mol
LogP3.27
Rot. Bonds8

About 4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 46287500) has the molecular formula C16H28N4OS2 and a molecular weight of 356.56 g/mol. Its IUPAC name is 4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID46287500
Molecular FormulaC16H28N4OS2
Molecular Weight356.56 g/mol
Exact Mass356.17
IUPAC Name4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCCn1c(N)c(C(=O)NC2CCCC2)sc1=S
InChIInChI=1S/C16H28N4OS2/c1-3-19(4-2)10-7-11-20-14(17)13(23-16(20)22)15(21)18-12-8-5-6-9-12/h12H,3-11,17H2,1-2H3,(H,18,21)
InChIKeyBUBOFUPYLHCIRA-UHFFFAOYSA-N
XLogP3.27
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 46287500) is 4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide is CCN(CC)CCCn1c(N)c(C(=O)NC2CCCC2)sc1=S.
What is the InChIKey of 4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is BUBOFUPYLHCIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS2/c1-3-19(4-2)10-7-11-20-14(17)13(23-16(20)22)15(21)18-12-8-5-6-9-12/h12H,3-11,17H2,1-2H3,(H,18,21).
What are the key properties of 4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 356.56 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46287500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).