N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C16H24N2S2 — CID 114368931

IUPACN-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(Cc2cccs2)nc1CC(C)C
InChIInChI=1S/C16H24N2S2/c1-4-7-17-11-15-14(9-12(2)3)18-16(20-15)10-13-6-5-8-19-13/h5-6,8,12,17H,4,7,9-11H2,1-3H3
InChIKeyWXTXAURLSKTRBY-UHFFFAOYSA-N
MW308.52 g/mol
LogP4.49
Rot. Bonds8

About N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 114368931) has the molecular formula C16H24N2S2 and a molecular weight of 308.52 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID114368931
Molecular FormulaC16H24N2S2
Molecular Weight308.52 g/mol
Exact Mass308.14
IUPAC NameN-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(Cc2cccs2)nc1CC(C)C
InChIInChI=1S/C16H24N2S2/c1-4-7-17-11-15-14(9-12(2)3)18-16(20-15)10-13-6-5-8-19-13/h5-6,8,12,17H,4,7,9-11H2,1-3H3
InChIKeyWXTXAURLSKTRBY-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(methoxymethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368906
N-[[2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368957
N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62767058
N-[[2-(3-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368915
N-[[2-[(2-methylphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368742
N-[[4-(2-methylpropyl)-2-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368491
N-[[2-butan-2-yl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368874
N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62501019
3-[4-(2-methylpropyl)-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921941
N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368564
N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433773
N-[[2-(3-methoxypentan-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368822

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 114368931) is N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(Cc2cccs2)nc1CC(C)C.
What is the InChIKey of N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is WXTXAURLSKTRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S2/c1-4-7-17-11-15-14(9-12(2)3)18-16(20-15)10-13-6-5-8-19-13/h5-6,8,12,17H,4,7,9-11H2,1-3H3.
What are the key properties of N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 308.52 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 114368931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).