N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine

C8H13ClN2S — CID 58065275

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2S/c1-8(2,3)11-5-6-4-10-7(9)12-6/h4,11H,5H2,1-3H3
InChIKeyYZIPAXPJMSSUMH-UHFFFAOYSA-N
MW204.73 g/mol
LogP2.68
Rot. Bonds2

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine (PubChem CID 58065275) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
PubChem CID58065275
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2S/c1-8(2,3)11-5-6-4-10-7(9)12-6/h4,11H,5H2,1-3H3
InChIKeyYZIPAXPJMSSUMH-UHFFFAOYSA-N
XLogP2.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine (CID 58065275) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(Cl)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is YZIPAXPJMSSUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2S/c1-8(2,3)11-5-6-4-10-7(9)12-6/h4,11H,5H2,1-3H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 204.73 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 58065275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).