2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C16H20ClN3O3S — CID 119712742

IUPAC2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)Nc2ccc(OCC3CCCO3)cc2)cs1
InChIInChI=1S/C16H19N3O3S.ClH/c17-8-15-19-14(10-23-15)16(20)18-11-3-5-12(6-4-11)22-9-13-2-1-7-21-13;/h3-6,10,13H,1-2,7-9,17H2,(H,18,20);1H
InChIKeyZRWCMKAJBGRZIS-UHFFFAOYSA-N
MW369.87 g/mol
LogP2.83
Rot. Bonds6

About 2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119712742) has the molecular formula C16H20ClN3O3S and a molecular weight of 369.87 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119712742
Molecular FormulaC16H20ClN3O3S
Molecular Weight369.87 g/mol
Exact Mass369.09
IUPAC Name2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)Nc2ccc(OCC3CCCO3)cc2)cs1
InChIInChI=1S/C16H19N3O3S.ClH/c17-8-15-19-14(10-23-15)16(20)18-11-3-5-12(6-4-11)22-9-13-2-1-7-21-13;/h3-6,10,13H,1-2,7-9,17H2,(H,18,20);1H
InChIKeyZRWCMKAJBGRZIS-UHFFFAOYSA-N
XLogP2.83
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 119786465
2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 131898305
2-(aminomethyl)-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779493
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 60521562
2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119707103
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119844245
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119712742) is 2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCc1nc(C(=O)Nc2ccc(OCC3CCCO3)cc2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is ZRWCMKAJBGRZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S.ClH/c17-8-15-19-14(10-23-15)16(20)18-11-3-5-12(6-4-11)22-9-13-2-1-7-21-13;/h3-6,10,13H,1-2,7-9,17H2,(H,18,20);1H.
What are the key properties of 2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 369.87 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119712742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).