N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine

C11H13BrN4S — CID 63874771

IUPACN-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(Nc2ncc(Br)cn2)n1
InChIInChI=1S/C11H13BrN4S/c1-11(2,3)8-6-17-10(15-8)16-9-13-4-7(12)5-14-9/h4-6H,1-3H3,(H,13,14,15,16)
InChIKeyYEMFPNULWIUKER-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.74
Rot. Bonds2

About N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine

N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine (PubChem CID 63874771) has the molecular formula C11H13BrN4S and a molecular weight of 313.22 g/mol. Its IUPAC name is N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine
PubChem CID63874771
Molecular FormulaC11H13BrN4S
Molecular Weight313.22 g/mol
Exact Mass312.00
IUPAC NameN-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(Nc2ncc(Br)cn2)n1
InChIInChI=1S/C11H13BrN4S/c1-11(2,3)8-6-17-10(15-8)16-9-13-4-7(12)5-14-9/h4-6H,1-3H3,(H,13,14,15,16)
InChIKeyYEMFPNULWIUKER-UHFFFAOYSA-N
XLogP3.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine
CID 54960658
4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine
CID 3542449
2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62159091
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide
CID 62000856
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62158728
(4-tert-butyl-1,3-thiazol-2-yl)cyanamide
CID 27060536
5-bromo-2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide
CID 114891504
N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine
CID 63874751
4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 1473901
2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine
CID 114049823
2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 114919380
6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyrazine-2-carboxamide
CID 170511217

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine (CID 63874771) is N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine is CC(C)(C)c1csc(Nc2ncc(Br)cn2)n1.
What is the InChIKey of N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine?
The InChIKey is YEMFPNULWIUKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4S/c1-11(2,3)8-6-17-10(15-8)16-9-13-4-7(12)5-14-9/h4-6H,1-3H3,(H,13,14,15,16).
What are the key properties of N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine?
N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine has a molecular weight of 313.22 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63874771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).