N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride

C15H18ClN3O2S — CID 120946394

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1cc(-c2ccccc2)ns1
InChIInChI=1S/C15H17N3O2S.ClH/c19-13-9-16-7-11(13)8-17-15(20)14-6-12(18-21-14)10-4-2-1-3-5-10;/h1-6,11,13,16,19H,7-9H2,(H,17,20);1H
InChIKeyPTCKMPCFCDVMTD-UHFFFAOYSA-N
MW339.85 g/mol
LogP1.54
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride (PubChem CID 120946394) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
PubChem CID120946394
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1cc(-c2ccccc2)ns1
InChIInChI=1S/C15H17N3O2S.ClH/c19-13-9-16-7-11(13)8-17-15(20)14-6-12(18-21-14)10-4-2-1-3-5-10;/h1-6,11,13,16,19H,7-9H2,(H,17,20);1H
InChIKeyPTCKMPCFCDVMTD-UHFFFAOYSA-N
XLogP1.54
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120947898
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120945682
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodobenzamide;hydrochloride
CID 120946362
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide
CID 120945759
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide
CID 120944262
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-iodobenzamide;hydrochloride
CID 120944879
3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-phenylthiophene-2-carboxamide;hydrochloride
CID 120945121
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 120943463
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120944201
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 120944224

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride (CID 120946394) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride is Cl.O=C(NCC1CNCC1O)c1cc(-c2ccccc2)ns1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride?
The InChIKey is PTCKMPCFCDVMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S.ClH/c19-13-9-16-7-11(13)8-17-15(20)14-6-12(18-21-14)10-4-2-1-3-5-10;/h1-6,11,13,16,19H,7-9H2,(H,17,20);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride has a molecular weight of 339.85 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120946394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).