4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide

C14H17FN4OS — CID 116663941

IUPAC4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NC(C)c2ccccc2F)s1
InChIInChI=1S/C14H17FN4OS/c1-3-17-14-19-12(16)11(21-14)13(20)18-8(2)9-6-4-5-7-10(9)15/h4-8H,3,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRTOGQYBKDNRHQL-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.79
Rot. Bonds5

About 4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide

4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116663941) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID116663941
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC Name4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NC(C)c2ccccc2F)s1
InChIInChI=1S/C14H17FN4OS/c1-3-17-14-19-12(16)11(21-14)13(20)18-8(2)9-6-4-5-7-10(9)15/h4-8H,3,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRTOGQYBKDNRHQL-UHFFFAOYSA-N
XLogP2.79
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide (CID 116663941) is 4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NC(C)c2ccccc2F)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RTOGQYBKDNRHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4OS/c1-3-17-14-19-12(16)11(21-14)13(20)18-8(2)9-6-4-5-7-10(9)15/h4-8H,3,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).