N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide

C16H21N3O2S — CID 94829447

IUPACN-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(C(=O)NC[C@@H](C)N(C)C)cs1
InChIInChI=1S/C16H21N3O2S/c1-11(19(2)3)9-17-15(20)13-10-22-16(18-13)12-7-5-6-8-14(12)21-4/h5-8,10-11H,9H2,1-4H3,(H,17,20)/t11-/m1/s1
InChIKeyNFZGHXPKJMSPRI-LLVKDONJSA-N
MW319.43 g/mol
LogP2.50
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 94829447) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID94829447
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(C(=O)NC[C@@H](C)N(C)C)cs1
InChIInChI=1S/C16H21N3O2S/c1-11(19(2)3)9-17-15(20)13-10-22-16(18-13)12-7-5-6-8-14(12)21-4/h5-8,10-11H,9H2,1-4H3,(H,17,20)/t11-/m1/s1
InChIKeyNFZGHXPKJMSPRI-LLVKDONJSA-N
XLogP2.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 42867054
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-thiazole-4-carboxamide
CID 27231015
2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 86934431
2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067434
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-3-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 18156560
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9090037
N-[2-(methylamino)propyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120830156
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120826543
2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 46560358
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
CID 110317372
2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120832699
2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 56519901

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 94829447) is N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccccc1-c1nc(C(=O)NC[C@@H](C)N(C)C)cs1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NFZGHXPKJMSPRI-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11(19(2)3)9-17-15(20)13-10-22-16(18-13)12-7-5-6-8-14(12)21-4/h5-8,10-11H,9H2,1-4H3,(H,17,20)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 94829447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).