N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide

C12H19N3OS2 — CID 75496100

IUPACN-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCSCC2CC2)s1
InChIInChI=1S/C12H19N3OS2/c1-2-13-12-15-7-10(18-12)11(16)14-5-6-17-8-9-3-4-9/h7,9H,2-6,8H2,1H3,(H,13,15)(H,14,16)
InChIKeyRACUDCZXFODKJC-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.45
Rot. Bonds8

About N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide

N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 75496100) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
PubChem CID75496100
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC NameN-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCSCC2CC2)s1
InChIInChI=1S/C12H19N3OS2/c1-2-13-12-15-7-10(18-12)11(16)14-5-6-17-8-9-3-4-9/h7,9H,2-6,8H2,1H3,(H,13,15)(H,14,16)
InChIKeyRACUDCZXFODKJC-UHFFFAOYSA-N
XLogP2.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide (CID 75496100) is N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide is CCNc1ncc(C(=O)NCCSCC2CC2)s1.
What is the InChIKey of N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is RACUDCZXFODKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-2-13-12-15-7-10(18-12)11(16)14-5-6-17-8-9-3-4-9/h7,9H,2-6,8H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 285.44 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75496100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).