N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine

C16H24N2S2 — CID 61347758

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)s1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H24N2S2/c1-6-9-17-14(12-8-7-11(2)20-12)15-18-13(10-19-15)16(3,4)5/h7-8,10,14,17H,6,9H2,1-5H3
InChIKeyVQGUDSZDMQKRNO-UHFFFAOYSA-N
MW308.52 g/mol
LogP4.90
Rot. Bonds5

About N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 61347758) has the molecular formula C16H24N2S2 and a molecular weight of 308.52 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID61347758
Molecular FormulaC16H24N2S2
Molecular Weight308.52 g/mol
Exact Mass308.14
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)s1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H24N2S2/c1-6-9-17-14(12-8-7-11(2)20-12)15-18-13(10-19-15)16(3,4)5/h7-8,10,14,17H,6,9H2,1-5H3
InChIKeyVQGUDSZDMQKRNO-UHFFFAOYSA-N
XLogP4.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 61345199
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 61345604
N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61346978
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 79568651
1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 63405438
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105016076
N-[(2,4-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494187
N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 113329640
N-[(3-methoxypyrazin-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105031971
N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494208
N-[(2-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 81109636
N-[(2-chlorofuran-3-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 106684250

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 61347758) is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)s1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is VQGUDSZDMQKRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S2/c1-6-9-17-14(12-8-7-11(2)20-12)15-18-13(10-19-15)16(3,4)5/h7-8,10,14,17H,6,9H2,1-5H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 308.52 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61347758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).