5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide

C15H17N3O3S2 — CID 91768510

IUPAC5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCc2csc(N3CCOCC3)n2)s1
InChIInChI=1S/C15H17N3O3S2/c1-10(19)12-2-3-13(23-12)14(20)16-8-11-9-22-15(17-11)18-4-6-21-7-5-18/h2-3,9H,4-8H2,1H3,(H,16,20)
InChIKeyWAWRRWSHNAWSQW-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.17
Rot. Bonds5

About 5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide

5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 91768510) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID91768510
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCc2csc(N3CCOCC3)n2)s1
InChIInChI=1S/C15H17N3O3S2/c1-10(19)12-2-3-13(23-12)14(20)16-8-11-9-22-15(17-11)18-4-6-21-7-5-18/h2-3,9H,4-8H2,1H3,(H,16,20)
InChIKeyWAWRRWSHNAWSQW-UHFFFAOYSA-N
XLogP2.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 50960264
2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 91760407
5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122253859
3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 138384779
3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97200731
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 72842732
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide
CID 72852420
S-[1-[4-[(thiophene-2-carbonylamino)methyl]-1,3-thiazol-2-yl]azetidin-3-yl] ethanethioate
CID 22242959
4-ethyl-N'-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]-5-propylthiophene-2-carbohydrazide
CID 9278398
2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
CID 17455867
1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea
CID 8627730
5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122319076

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide (CID 91768510) is 5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NCc2csc(N3CCOCC3)n2)s1.
What is the InChIKey of 5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is WAWRRWSHNAWSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-10(19)12-2-3-13(23-12)14(20)16-8-11-9-22-15(17-11)18-4-6-21-7-5-18/h2-3,9H,4-8H2,1H3,(H,16,20).
What are the key properties of 5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide?
5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 91768510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).