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

C15H20N2O2S2 — CID 70749928

IUPACN-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)NCC(CO)Cc1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-11-14(21-10-17-11)4-5-15(19)16-8-12(9-18)7-13-3-2-6-20-13/h2-3,6,10,12,18H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyAFZARPVHGZLXFO-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.41
Rot. Bonds8

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

N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 70749928) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID70749928
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)NCC(CO)Cc1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-11-14(21-10-17-11)4-5-15(19)16-8-12(9-18)7-13-3-2-6-20-13/h2-3,6,10,12,18H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyAFZARPVHGZLXFO-UHFFFAOYSA-N
XLogP2.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide
CID 74230031
2-(4-methyl-1,3-thiazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110679612
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 91793745
1-(1,3-dimethylpyrazol-4-yl)-3-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]urea
CID 97434401
1-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]urea
CID 97434400
2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide
CID 97139042
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111794675
2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide
CID 74246897
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784605
N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97133856
N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide
CID 66178126
3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 70769500

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 70749928) is N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1ncsc1CCC(=O)NCC(CO)Cc1cccs1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is AFZARPVHGZLXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-11-14(21-10-17-11)4-5-15(19)16-8-12(9-18)7-13-3-2-6-20-13/h2-3,6,10,12,18H,4-5,7-9H2,1H3,(H,16,19).
What are the key properties of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 324.47 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 70749928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).