(1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine

C13H25N3S — CID 58089988

IUPAC(1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine
SMILESCC(C)(C)Cc1csc([C@@H](N)CCCCN)n1
InChIInChI=1S/C13H25N3S/c1-13(2,3)8-10-9-17-12(16-10)11(15)6-4-5-7-14/h9,11H,4-8,14-15H2,1-3H3/t11-/m0/s1
InChIKeyMFPUQFIFGFNMCN-NSHDSACASA-N
MW255.43 g/mol
LogP2.86
Rot. Bonds6

About (1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine

(1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine (PubChem CID 58089988) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is (1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine.

Molecular Properties

Compound Name(1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine
PubChem CID58089988
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name(1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine
SMILESCC(C)(C)Cc1csc([C@@H](N)CCCCN)n1
InChIInChI=1S/C13H25N3S/c1-13(2,3)8-10-9-17-12(16-10)11(15)6-4-5-7-14/h9,11H,4-8,14-15H2,1-3H3/t11-/m0/s1
InChIKeyMFPUQFIFGFNMCN-NSHDSACASA-N
XLogP2.86
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine?
The IUPAC name of (1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine (CID 58089988) is (1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine.
What is the SMILES notation for (1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine?
The canonical SMILES for (1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine is CC(C)(C)Cc1csc([C@@H](N)CCCCN)n1.
What is the InChIKey of (1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine?
The InChIKey is MFPUQFIFGFNMCN-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N3S/c1-13(2,3)8-10-9-17-12(16-10)11(15)6-4-5-7-14/h9,11H,4-8,14-15H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine?
(1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine has a molecular weight of 255.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine is sourced from PubChem (CID 58089988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).