[4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine

C11H20N2S2 — CID 82434459

IUPAC[4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCSCc1nc(C(C)C)c(CN)s1
InChIInChI=1S/C11H20N2S2/c1-4-5-14-7-10-13-11(8(2)3)9(6-12)15-10/h8H,4-7,12H2,1-3H3
InChIKeyLWCQYBCIGSJIFB-UHFFFAOYSA-N
MW244.43 g/mol
LogP3.37
Rot. Bonds6

About [4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine

[4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82434459) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is [4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82434459
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC Name[4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCSCc1nc(C(C)C)c(CN)s1
InChIInChI=1S/C11H20N2S2/c1-4-5-14-7-10-13-11(8(2)3)9(6-12)15-10/h8H,4-7,12H2,1-3H3
InChIKeyLWCQYBCIGSJIFB-UHFFFAOYSA-N
XLogP3.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-methylpropyl)-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114362112
[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434378
[2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361556
[2-[(2-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361388
2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82435380
N-[[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82426385
[2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361429
N-[[4-propyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82432156
[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361462
[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82433800
N-[[4-ethyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82429324
5-(bromomethyl)-2-(methylsulfanylmethyl)-4-propan-2-yl-1,3-thiazole
CID 82434358

Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine (CID 82434459) is [4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine is CCCSCc1nc(C(C)C)c(CN)s1.
What is the InChIKey of [4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is LWCQYBCIGSJIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-4-5-14-7-10-13-11(8(2)3)9(6-12)15-10/h8H,4-7,12H2,1-3H3.
What are the key properties of [4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine?
[4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 244.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82434459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).