N,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide

C16H21N3OS — CID 95174656

IUPACN,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N(C)C[C@H](C)c1ccccc1
InChIInChI=1S/C16H21N3OS/c1-11(13-8-6-5-7-9-13)10-19(4)16(20)14-12(2)18-21-15(14)17-3/h5-9,11,17H,10H2,1-4H3/t11-/m0/s1
InChIKeyJRXIKIYDBAWOQR-NSHDSACASA-N
MW303.43 g/mol
LogP3.37
Rot. Bonds5

About N,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide

N,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide (PubChem CID 95174656) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide
PubChem CID95174656
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N(C)C[C@H](C)c1ccccc1
InChIInChI=1S/C16H21N3OS/c1-11(13-8-6-5-7-9-13)10-19(4)16(20)14-12(2)18-21-15(14)17-3/h5-9,11,17H,10H2,1-4H3/t11-/m0/s1
InChIKeyJRXIKIYDBAWOQR-NSHDSACASA-N
XLogP3.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide (CID 95174656) is N,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)N(C)C[C@H](C)c1ccccc1.
What is the InChIKey of N,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide?
The InChIKey is JRXIKIYDBAWOQR-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11(13-8-6-5-7-9-13)10-19(4)16(20)14-12(2)18-21-15(14)17-3/h5-9,11,17H,10H2,1-4H3/t11-/m0/s1.
What are the key properties of N,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide?
N,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 95174656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).