2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine

C9H15BrN2S — CID 102518253

IUPAC2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine
SMILESCC(C)N(c1cnc(Br)s1)C(C)C
InChIInChI=1S/C9H15BrN2S/c1-6(2)12(7(3)4)8-5-11-9(10)13-8/h5-7H,1-4H3
InChIKeyNAVDJNOXFUWTNS-UHFFFAOYSA-N
MW263.20 g/mol
LogP3.53
Rot. Bonds3

About 2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine

2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine (PubChem CID 102518253) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is 2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine
PubChem CID102518253
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC Name2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine
SMILESCC(C)N(c1cnc(Br)s1)C(C)C
InChIInChI=1S/C9H15BrN2S/c1-6(2)12(7(3)4)8-5-11-9(10)13-8/h5-7H,1-4H3
InChIKeyNAVDJNOXFUWTNS-UHFFFAOYSA-N
XLogP3.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine?
The IUPAC name of 2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine (CID 102518253) is 2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine is CC(C)N(c1cnc(Br)s1)C(C)C.
What is the InChIKey of 2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine?
The InChIKey is NAVDJNOXFUWTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S/c1-6(2)12(7(3)4)8-5-11-9(10)13-8/h5-7H,1-4H3.
What are the key properties of 2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine?
2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine has a molecular weight of 263.20 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-di(propan-2-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 102518253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).