N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine

C19H24N2S2 — CID 71610279

IUPACN-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine
SMILESCc1ncc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)s2)s1
InChIInChI=1S/C19H24N2S2/c1-12-20-11-18(22-12)17-3-2-16(23-17)10-21-19-7-13-4-14(8-19)6-15(5-13)9-19/h2-3,11,13-15,21H,4-10H2,1H3
InChIKeyXHXPVNISOCCDSW-UHFFFAOYSA-N
MW344.55 g/mol
LogP5.24
Rot. Bonds4

About N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine

N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine (PubChem CID 71610279) has the molecular formula C19H24N2S2 and a molecular weight of 344.55 g/mol. Its IUPAC name is N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine
PubChem CID71610279
Molecular FormulaC19H24N2S2
Molecular Weight344.55 g/mol
Exact Mass344.14
IUPAC NameN-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine
SMILESCc1ncc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)s2)s1
InChIInChI=1S/C19H24N2S2/c1-12-20-11-18(22-12)17-3-2-16(23-17)10-21-19-7-13-4-14(8-19)6-15(5-13)9-19/h2-3,11,13-15,21H,4-10H2,1H3
InChIKeyXHXPVNISOCCDSW-UHFFFAOYSA-N
XLogP5.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.55
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine?
The IUPAC name of N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine (CID 71610279) is N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine is Cc1ncc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)s2)s1.
What is the InChIKey of N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine?
The InChIKey is XHXPVNISOCCDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S2/c1-12-20-11-18(22-12)17-3-2-16(23-17)10-21-19-7-13-4-14(8-19)6-15(5-13)9-19/h2-3,11,13-15,21H,4-10H2,1H3.
What are the key properties of N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine?
N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine has a molecular weight of 344.55 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]adamantan-1-amine is sourced from PubChem (CID 71610279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).