4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one

C13H11N3OS — CID 114181570

IUPAC4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2ccnc3ccccc23)cs1
InChIInChI=1S/C13H11N3OS/c17-13-16-9(8-18-13)7-15-12-5-6-14-11-4-2-1-3-10(11)12/h1-6,8H,7H2,(H,14,15)(H,16,17)
InChIKeyFRMWAJNYPJSSCF-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.60
Rot. Bonds3

About 4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181570) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID114181570
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2ccnc3ccccc23)cs1
InChIInChI=1S/C13H11N3OS/c17-13-16-9(8-18-13)7-15-12-5-6-14-11-4-2-1-3-10(11)12/h1-6,8H,7H2,(H,14,15)(H,16,17)
InChIKeyFRMWAJNYPJSSCF-UHFFFAOYSA-N
XLogP2.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106382164
4-[(2-nitroanilino)methyl]-3H-1,3-thiazol-2-one
CID 103775093
4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181566
N-ethylquinolin-4-amine
CID 15306588
4-[[(5-nitroisoquinolin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381959
4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384321
4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382213
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine
CID 114694669
2-(quinolin-4-ylamino)acetamide
CID 61340443
N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine
CID 106402958

Frequently Asked Questions

What is the IUPAC name of 4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 114181570) is 4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNc2ccnc3ccccc23)cs1.
What is the InChIKey of 4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FRMWAJNYPJSSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c17-13-16-9(8-18-13)7-15-12-5-6-14-11-4-2-1-3-10(11)12/h1-6,8H,7H2,(H,14,15)(H,16,17).
What are the key properties of 4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 257.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).