N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine

C13H13N9S — CID 167777199

IUPACN-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine
SMILESc1cnc(NCCn2nnnc2Cc2cn3ccsc3n2)nc1
InChIInChI=1S/C13H13N9S/c1-2-14-12(15-3-1)16-4-5-22-11(18-19-20-22)8-10-9-21-6-7-23-13(21)17-10/h1-3,6-7,9H,4-5,8H2,(H,14,15,16)
InChIKeyANWJLRPTDPPAHP-UHFFFAOYSA-N
MW327.38 g/mol
LogP0.88
Rot. Bonds6

About N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine

N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine (PubChem CID 167777199) has the molecular formula C13H13N9S and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine
PubChem CID167777199
Molecular FormulaC13H13N9S
Molecular Weight327.38 g/mol
Exact Mass327.10
IUPAC NameN-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine
SMILESc1cnc(NCCn2nnnc2Cc2cn3ccsc3n2)nc1
InChIInChI=1S/C13H13N9S/c1-2-14-12(15-3-1)16-4-5-22-11(18-19-20-22)8-10-9-21-6-7-23-13(21)17-10/h1-3,6-7,9H,4-5,8H2,(H,14,15,16)
InChIKeyANWJLRPTDPPAHP-UHFFFAOYSA-N
XLogP0.88
TPSA98.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine?
The IUPAC name of N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine (CID 167777199) is N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine is c1cnc(NCCn2nnnc2Cc2cn3ccsc3n2)nc1.
What is the InChIKey of N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine?
The InChIKey is ANWJLRPTDPPAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N9S/c1-2-14-12(15-3-1)16-4-5-22-11(18-19-20-22)8-10-9-21-6-7-23-13(21)17-10/h1-3,6-7,9H,4-5,8H2,(H,14,15,16).
What are the key properties of N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine?
N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine has a molecular weight of 327.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 167777199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).