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

C14H24N2S2 — CID 114365463

IUPACN-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(C2CCCS2)nc1C(C)C
InChIInChI=1S/C14H24N2S2/c1-9(2)13-12(8-15-10(3)4)18-14(16-13)11-6-5-7-17-11/h9-11,15H,5-8H2,1-4H3
InChIKeyILQWNTNFNIOBFG-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.33
Rot. Bonds5

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

N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114365463) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114365463
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC NameN-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(C2CCCS2)nc1C(C)C
InChIInChI=1S/C14H24N2S2/c1-9(2)13-12(8-15-10(3)4)18-14(16-13)11-6-5-7-17-11/h9-11,15H,5-8H2,1-4H3
InChIKeyILQWNTNFNIOBFG-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-(2-methylpropyl)-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369110
N-[[2-(4-ethylcyclohexyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365494
N-[[2-(3-ethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365340
N-[[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365491
N-[[2-(1,4-dithian-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 113459676
N-[[4-ethyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842194
[4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361282
N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369087
N-[[2-(methylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434348
N-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365445
(2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
CID 82434692
N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79380658

Frequently Asked Questions

What is the IUPAC name of N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114365463) is N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1sc(C2CCCS2)nc1C(C)C.
What is the InChIKey of N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is ILQWNTNFNIOBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-9(2)13-12(8-15-10(3)4)18-14(16-13)11-6-5-7-17-11/h9-11,15H,5-8H2,1-4H3.
What are the key properties of N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 284.49 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114365463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).