N-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide

C15H19N3OS — CID 164632276

IUPACN-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)c2ccccc2N(C)C)ns1
InChIInChI=1S/C15H19N3OS/c1-10-9-13(17-20-10)15(19)16-11(2)12-7-5-6-8-14(12)18(3)4/h5-9,11H,1-4H3,(H,16,19)/t11-/m0/s1
InChIKeyHLOQMRXJMAZSMU-NSHDSACASA-N
MW289.40 g/mol
LogP3.01
Rot. Bonds4

About N-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide

N-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 164632276) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID164632276
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)c2ccccc2N(C)C)ns1
InChIInChI=1S/C15H19N3OS/c1-10-9-13(17-20-10)15(19)16-11(2)12-7-5-6-8-14(12)18(3)4/h5-9,11H,1-4H3,(H,16,19)/t11-/m0/s1
InChIKeyHLOQMRXJMAZSMU-NSHDSACASA-N
XLogP3.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide (CID 164632276) is N-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](C)c2ccccc2N(C)C)ns1.
What is the InChIKey of N-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is HLOQMRXJMAZSMU-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-9-13(17-20-10)15(19)16-11(2)12-7-5-6-8-14(12)18(3)4/h5-9,11H,1-4H3,(H,16,19)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide?
N-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 164632276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).