N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide

C11H9BrN4S2 — CID 5344926

IUPACN-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.c1cnc(Nc2nc(-c3cccs3)cs2)nc1
InChIInChI=1S/C11H8N4S2.BrH/c1-3-9(16-6-1)8-7-17-11(14-8)15-10-12-4-2-5-13-10;/h1-7H,(H,12,13,14,15);1H
InChIKeyPNTSMHIPORXJRC-UHFFFAOYSA-N
MW341.26 g/mol
LogP3.98
Rot. Bonds3

About N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide

N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide (PubChem CID 5344926) has the molecular formula C11H9BrN4S2 and a molecular weight of 341.26 g/mol. Its IUPAC name is N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide
PubChem CID5344926
Molecular FormulaC11H9BrN4S2
Molecular Weight341.26 g/mol
Exact Mass339.95
IUPAC NameN-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.c1cnc(Nc2nc(-c3cccs3)cs2)nc1
InChIInChI=1S/C11H8N4S2.BrH/c1-3-9(16-6-1)8-7-17-11(14-8)15-10-12-4-2-5-13-10;/h1-7H,(H,12,13,14,15);1H
InChIKeyPNTSMHIPORXJRC-UHFFFAOYSA-N
XLogP3.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide (CID 5344926) is N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide is Br.c1cnc(Nc2nc(-c3cccs3)cs2)nc1.
What is the InChIKey of N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is PNTSMHIPORXJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S2.BrH/c1-3-9(16-6-1)8-7-17-11(14-8)15-10-12-4-2-5-13-10;/h1-7H,(H,12,13,14,15);1H.
What are the key properties of N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide?
N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 341.26 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 5344926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).