[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone

C12H13N3OS — CID 667747

IUPAC[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCCNc1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C12H13N3OS/c1-2-14-12-15-11(13)10(17-12)9(16)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3,(H,14,15)
InChIKeyDOPTXFSKHKVWMK-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.39
Rot. Bonds4

About [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone

[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 667747) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID667747
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCCNc1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C12H13N3OS/c1-2-14-12-15-11(13)10(17-12)9(16)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3,(H,14,15)
InChIKeyDOPTXFSKHKVWMK-UHFFFAOYSA-N
XLogP2.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone (CID 667747) is [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone is CCNc1nc(N)c(C(=O)c2ccccc2)s1.
What is the InChIKey of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is DOPTXFSKHKVWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-2-14-12-15-11(13)10(17-12)9(16)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3,(H,14,15).
What are the key properties of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 247.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 667747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).