1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

C14H20N2S2 — CID 81498908

IUPAC1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(C(C)(C)C)s2)cs1
InChIInChI=1S/C14H20N2S2/c1-10-16-11(9-17-10)7-15-8-12-5-6-13(18-12)14(2,3)4/h5-6,9,15H,7-8H2,1-4H3
InChIKeyIWGSSDITVJCVBT-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.10
Rot. Bonds4

About 1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 81498908) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID81498908
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC Name1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(C(C)(C)C)s2)cs1
InChIInChI=1S/C14H20N2S2/c1-10-16-11(9-17-10)7-15-8-12-5-6-13(18-12)14(2,3)4/h5-6,9,15H,7-8H2,1-4H3
InChIKeyIWGSSDITVJCVBT-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-tert-butylthiophen-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 81498798
1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673082
1-(4-iodophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65479206
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
N-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115652412
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79261715
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60960976
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 79361912
N-[(5-tert-butylthiophen-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 103816282
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
2-ethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
CID 79814325

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (CID 81498908) is 1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is Cc1nc(CNCc2ccc(C(C)(C)C)s2)cs1.
What is the InChIKey of 1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is IWGSSDITVJCVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-10-16-11(9-17-10)7-15-8-12-5-6-13(18-12)14(2,3)4/h5-6,9,15H,7-8H2,1-4H3.
What are the key properties of 1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 280.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 81498908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).