N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine

C14H26N2S — CID 82433663

IUPACN-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
SMILESCCCCNCc1sc(C(C)C)nc1C(C)C
InChIInChI=1S/C14H26N2S/c1-6-7-8-15-9-12-13(10(2)3)16-14(17-12)11(4)5/h10-11,15H,6-9H2,1-5H3
InChIKeyPSQGPQFCJQVJID-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.28
Rot. Bonds7

About N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine

N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine (PubChem CID 82433663) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
PubChem CID82433663
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
SMILESCCCCNCc1sc(C(C)C)nc1C(C)C
InChIInChI=1S/C14H26N2S/c1-6-7-8-15-9-12-13(10(2)3)16-14(17-12)11(4)5/h10-11,15H,6-9H2,1-5H3
InChIKeyPSQGPQFCJQVJID-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82433713
N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62403726
N-[[2-(1-ethoxypropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365184
N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-1-amine
CID 65204165
4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 114365185
N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82429665
3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 83959766
N-[[2-(ethoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365231
N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395047
2-methyl-N-[(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433844
N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine
CID 79381980
N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365238

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
The IUPAC name of N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine (CID 82433663) is N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine is CCCCNCc1sc(C(C)C)nc1C(C)C.
What is the InChIKey of N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
The InChIKey is PSQGPQFCJQVJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-6-7-8-15-9-12-13(10(2)3)16-14(17-12)11(4)5/h10-11,15H,6-9H2,1-5H3.
What are the key properties of N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine has a molecular weight of 254.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine is sourced from PubChem (CID 82433663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).