3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide

C18H23N3O2S — CID 91762539

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide
SMILESNc1nc(CCC(=O)NC(Cc2ccccc2)C2CC(O)C2)cs1
InChIInChI=1S/C18H23N3O2S/c19-18-20-14(11-24-18)6-7-17(23)21-16(13-9-15(22)10-13)8-12-4-2-1-3-5-12/h1-5,11,13,15-16,22H,6-10H2,(H2,19,20)(H,21,23)
InChIKeyGDMVEPUVMLDPAX-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.16
Rot. Bonds7

About 3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide

3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide (PubChem CID 91762539) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide
PubChem CID91762539
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide
SMILESNc1nc(CCC(=O)NC(Cc2ccccc2)C2CC(O)C2)cs1
InChIInChI=1S/C18H23N3O2S/c19-18-20-14(11-24-18)6-7-17(23)21-16(13-9-15(22)10-13)8-12-4-2-1-3-5-12/h1-5,11,13,15-16,22H,6-10H2,(H2,19,20)(H,21,23)
InChIKeyGDMVEPUVMLDPAX-UHFFFAOYSA-N
XLogP2.16
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-methoxyacetamide
CID 91794448
3-(2-fluorophenyl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]propanamide
CID 91766999
2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide
CID 91761784
3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91761236
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 91775415
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63010937
3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide
CID 110330174
7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride
CID 119796894
3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 125158590
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 91786219

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide (CID 91762539) is 3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide is Nc1nc(CCC(=O)NC(Cc2ccccc2)C2CC(O)C2)cs1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide?
The InChIKey is GDMVEPUVMLDPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c19-18-20-14(11-24-18)6-7-17(23)21-16(13-9-15(22)10-13)8-12-4-2-1-3-5-12/h1-5,11,13,15-16,22H,6-10H2,(H2,19,20)(H,21,23).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide?
3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide has a molecular weight of 345.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide is sourced from PubChem (CID 91762539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).