N-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine

C9H16N2S — CID 58965008

IUPACN-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine
SMILESCC(C)C[C@@H](C)Nc1nccs1
InChIInChI=1S/C9H16N2S/c1-7(2)6-8(3)11-9-10-4-5-12-9/h4-5,7-8H,6H2,1-3H3,(H,10,11)/t8-/m1/s1
InChIKeySFIDBWLGPGVGCX-MRVPVSSYSA-N
MW184.31 g/mol
LogP2.99
Rot. Bonds4

About N-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine

N-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine (PubChem CID 58965008) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine
PubChem CID58965008
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine
SMILESCC(C)C[C@@H](C)Nc1nccs1
InChIInChI=1S/C9H16N2S/c1-7(2)6-8(3)11-9-10-4-5-12-9/h4-5,7-8H,6H2,1-3H3,(H,10,11)/t8-/m1/s1
InChIKeySFIDBWLGPGVGCX-MRVPVSSYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine (CID 58965008) is N-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine is CC(C)C[C@@H](C)Nc1nccs1.
What is the InChIKey of N-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine?
The InChIKey is SFIDBWLGPGVGCX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-7(2)6-8(3)11-9-10-4-5-12-9/h4-5,7-8H,6H2,1-3H3,(H,10,11)/t8-/m1/s1.
What are the key properties of N-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine?
N-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methylpentan-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58965008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).