2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide

C17H22N4O3S — CID 164636450

IUPAC2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1nc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)cs1
InChIInChI=1S/C17H22N4O3S/c1-21(2)9-16-19-13(11-25-16)17(22)20-12-10-23-8-6-14(12)24-15-5-3-4-7-18-15/h3-5,7,11-12,14H,6,8-10H2,1-2H3,(H,20,22)/t12-,14-/m0/s1
InChIKeyJWYJNBNJVXDIIZ-JSGCOSHPSA-N
MW362.46 g/mol
LogP1.57
Rot. Bonds6

About 2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide

2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 164636450) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID164636450
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1nc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)cs1
InChIInChI=1S/C17H22N4O3S/c1-21(2)9-16-19-13(11-25-16)17(22)20-12-10-23-8-6-14(12)24-15-5-3-4-7-18-15/h3-5,7,11-12,14H,6,8-10H2,1-2H3,(H,20,22)/t12-,14-/m0/s1
InChIKeyJWYJNBNJVXDIIZ-JSGCOSHPSA-N
XLogP1.57
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide (CID 164636450) is 2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide is CN(C)Cc1nc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)cs1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is JWYJNBNJVXDIIZ-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-21(2)9-16-19-13(11-25-16)17(22)20-12-10-23-8-6-14(12)24-15-5-3-4-7-18-15/h3-5,7,11-12,14H,6,8-10H2,1-2H3,(H,20,22)/t12-,14-/m0/s1.
What are the key properties of 2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide?
2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 164636450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).