N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride

C13H16ClN3O2S2 — CID 119689444

IUPACN-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(-c2csc(NC(=O)C3COCCN3)n2)s1.Cl
InChIInChI=1S/C13H15N3O2S2.ClH/c1-8-2-3-11(20-8)10-7-19-13(15-10)16-12(17)9-6-18-5-4-14-9;/h2-3,7,9,14H,4-6H2,1H3,(H,15,16,17);1H
InChIKeyMIUDTSSWUWPDNM-UHFFFAOYSA-N
MW345.88 g/mol
LogP2.53
Rot. Bonds3

About N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride

N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119689444) has the molecular formula C13H16ClN3O2S2 and a molecular weight of 345.88 g/mol. Its IUPAC name is N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
PubChem CID119689444
Molecular FormulaC13H16ClN3O2S2
Molecular Weight345.88 g/mol
Exact Mass345.04
IUPAC NameN-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(-c2csc(NC(=O)C3COCCN3)n2)s1.Cl
InChIInChI=1S/C13H15N3O2S2.ClH/c1-8-2-3-11(20-8)10-7-19-13(15-10)16-12(17)9-6-18-5-4-14-9;/h2-3,7,9,14H,4-6H2,1H3,(H,15,16,17);1H
InChIKeyMIUDTSSWUWPDNM-UHFFFAOYSA-N
XLogP2.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119271224
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119693768
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119697771
3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine
CID 102748188
(1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 27519790
N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119778931
N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 119755286
2,2-dimethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 112771339
N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride
CID 119838375
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
(2S)-2-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119271226
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 51328878

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride (CID 119689444) is N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride is Cc1ccc(-c2csc(NC(=O)C3COCCN3)n2)s1.Cl.
What is the InChIKey of N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is MIUDTSSWUWPDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2.ClH/c1-8-2-3-11(20-8)10-7-19-13(15-10)16-12(17)9-6-18-5-4-14-9;/h2-3,7,9,14H,4-6H2,1H3,(H,15,16,17);1H.
What are the key properties of N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 345.88 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119689444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).