N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C16H20N2O2S2 — CID 91793745

IUPACN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C16H20N2O2S2/c1-10-13(22-9-17-10)4-5-15(20)18-16(11-7-12(19)8-11)14-3-2-6-21-14/h2-3,6,9,11-12,16,19H,4-5,7-8H2,1H3,(H,18,20)
InChIKeyCMBVADZMQYLWDK-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.07
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 91793745) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID91793745
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C16H20N2O2S2/c1-10-13(22-9-17-10)4-5-15(20)18-16(11-7-12(19)8-11)14-3-2-6-21-14/h2-3,6,9,11-12,16,19H,4-5,7-8H2,1H3,(H,18,20)
InChIKeyCMBVADZMQYLWDK-UHFFFAOYSA-N
XLogP3.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
CID 91779224
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
CID 91770476
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide
CID 91795005
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide
CID 91764411
3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
CID 91766589
N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70749928
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 91782926
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
CID 91770832
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide
CID 91763986
(2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide
CID 74243450
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70740526
5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide
CID 91782379

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 91793745) is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1ncsc1CCC(=O)NC(c1cccs1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is CMBVADZMQYLWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-10-13(22-9-17-10)4-5-15(20)18-16(11-7-12(19)8-11)14-3-2-6-21-14/h2-3,6,9,11-12,16,19H,4-5,7-8H2,1H3,(H,18,20).
What are the key properties of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 336.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 91793745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).