N-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine

C12H15N5S — CID 141126616

IUPACN-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESc1csc(Nc2cnc(CN3CCCC3)cn2)n1
InChIInChI=1S/C12H15N5S/c1-2-5-17(4-1)9-10-7-15-11(8-14-10)16-12-13-3-6-18-12/h3,6-8H,1-2,4-5,9H2,(H,13,15,16)
InChIKeyIOVPLSUVWCAQEW-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.27
Rot. Bonds4

About N-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine

N-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 141126616) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine
PubChem CID141126616
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC NameN-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESc1csc(Nc2cnc(CN3CCCC3)cn2)n1
InChIInChI=1S/C12H15N5S/c1-2-5-17(4-1)9-10-7-15-11(8-14-10)16-12-13-3-6-18-12/h3,6-8H,1-2,4-5,9H2,(H,13,15,16)
InChIKeyIOVPLSUVWCAQEW-UHFFFAOYSA-N
XLogP2.27
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine (CID 141126616) is N-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine is c1csc(Nc2cnc(CN3CCCC3)cn2)n1.
What is the InChIKey of N-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is IOVPLSUVWCAQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-2-5-17(4-1)9-10-7-15-11(8-14-10)16-12-13-3-6-18-12/h3,6-8H,1-2,4-5,9H2,(H,13,15,16).
What are the key properties of N-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine?
N-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 261.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 141126616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).