4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one

C14H18N2OS2 — CID 106380194

IUPAC4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC(c2cccs2)C2CCCC2)cs1
InChIInChI=1S/C14H18N2OS2/c17-14-16-11(9-19-14)8-15-13(10-4-1-2-5-10)12-6-3-7-18-12/h3,6-7,9-10,13,15H,1-2,4-5,8H2,(H,16,17)
InChIKeyRYDYHBRBDNXOPL-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.52
Rot. Bonds5

About 4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380194) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380194
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC Name4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC(c2cccs2)C2CCCC2)cs1
InChIInChI=1S/C14H18N2OS2/c17-14-16-11(9-19-14)8-15-13(10-4-1-2-5-10)12-6-3-7-18-12/h3,6-7,9-10,13,15H,1-2,4-5,8H2,(H,16,17)
InChIKeyRYDYHBRBDNXOPL-UHFFFAOYSA-N
XLogP3.52
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62741804
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379744
1-cyclopentyl-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43740567
1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 103851306
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 43740648
1-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62847543
1-cyclopentyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103898804
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572
N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740577
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 63452373
1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43789971

Frequently Asked Questions

What is the IUPAC name of 4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106380194) is 4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC(c2cccs2)C2CCCC2)cs1.
What is the InChIKey of 4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is RYDYHBRBDNXOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c17-14-16-11(9-19-14)8-15-13(10-4-1-2-5-10)12-6-3-7-18-12/h3,6-7,9-10,13,15H,1-2,4-5,8H2,(H,16,17).
What are the key properties of 4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 294.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).