3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide

C18H18N4O2S — CID 91774940

IUPAC3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide
SMILESNc1nscc1C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C18H18N4O2S/c19-17-14(9-25-22-17)18(24)21-16(11-6-13(23)7-11)12-5-10-3-1-2-4-15(10)20-8-12/h1-5,8-9,11,13,16,23H,6-7H2,(H2,19,22)(H,21,24)
InChIKeySIQHQQMUEVCDBD-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.52
Rot. Bonds4

About 3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide

3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide (PubChem CID 91774940) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide
PubChem CID91774940
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide
SMILESNc1nscc1C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C18H18N4O2S/c19-17-14(9-25-22-17)18(24)21-16(11-6-13(23)7-11)12-5-10-3-1-2-4-15(10)20-8-12/h1-5,8-9,11,13,16,23H,6-7H2,(H2,19,22)(H,21,24)
InChIKeySIQHQQMUEVCDBD-UHFFFAOYSA-N
XLogP2.52
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91787083
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide
CID 91763890
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide
CID 91782979
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 91768658
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide
CID 91765727
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91796101
4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide
CID 91787352
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide
CID 91774287
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide
CID 91764754
5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91785775
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide
CID 91790371
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide
CID 91768467

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide (CID 91774940) is 3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide is Nc1nscc1C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1.
What is the InChIKey of 3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide?
The InChIKey is SIQHQQMUEVCDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c19-17-14(9-25-22-17)18(24)21-16(11-6-13(23)7-11)12-5-10-3-1-2-4-15(10)20-8-12/h1-5,8-9,11,13,16,23H,6-7H2,(H2,19,22)(H,21,24).
What are the key properties of 3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide?
3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 91774940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).