2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole

C15H20N2S2 — CID 18700042

IUPAC2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2ccc(CN3CCCCCC3)s2)n1
InChIInChI=1S/C15H20N2S2/c1-12-11-18-15(16-12)14-7-6-13(19-14)10-17-8-4-2-3-5-9-17/h6-7,11H,2-5,8-10H2,1H3
InChIKeyMNDONGPPTYBFDA-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.56
Rot. Bonds3

About 2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole

2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole (PubChem CID 18700042) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole
PubChem CID18700042
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC Name2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2ccc(CN3CCCCCC3)s2)n1
InChIInChI=1S/C15H20N2S2/c1-12-11-18-15(16-12)14-7-6-13(19-14)10-17-8-4-2-3-5-9-17/h6-7,11H,2-5,8-10H2,1H3
InChIKeyMNDONGPPTYBFDA-UHFFFAOYSA-N
XLogP4.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole (CID 18700042) is 2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole is Cc1csc(-c2ccc(CN3CCCCCC3)s2)n1.
What is the InChIKey of 2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is MNDONGPPTYBFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-12-11-18-15(16-12)14-7-6-13(19-14)10-17-8-4-2-3-5-9-17/h6-7,11H,2-5,8-10H2,1H3.
What are the key properties of 2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole?
2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 292.47 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azepan-1-ylmethyl)thiophen-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 18700042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).