2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine

C12H12N6S2 — CID 86794222

IUPAC2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
SMILESc1csc(CNc2nccnc2NCc2nccs2)n1
InChIInChI=1S/C12H12N6S2/c1-2-16-12(18-8-10-14-4-6-20-10)11(15-1)17-7-9-13-3-5-19-9/h1-6H,7-8H2,(H,15,17)(H,16,18)
InChIKeyDCDDDPSEJPDFGC-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.61
Rot. Bonds6

About 2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine

2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine (PubChem CID 86794222) has the molecular formula C12H12N6S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
PubChem CID86794222
Molecular FormulaC12H12N6S2
Molecular Weight304.40 g/mol
Exact Mass304.06
IUPAC Name2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
SMILESc1csc(CNc2nccnc2NCc2nccs2)n1
InChIInChI=1S/C12H12N6S2/c1-2-16-12(18-8-10-14-4-6-20-10)11(15-1)17-7-9-13-3-5-19-9/h1-6H,7-8H2,(H,15,17)(H,16,18)
InChIKeyDCDDDPSEJPDFGC-UHFFFAOYSA-N
XLogP2.61
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 62709979
3-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
CID 115868201
N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285050
5-bromo-N-(1,3-thiazol-2-ylmethyl)isoquinolin-1-amine
CID 113350183
5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808035
5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 79556675
6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 63728982
4,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 61283291
6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80807627
1-methyl-N-(1,3-thiazol-2-ylmethyl)tetrazol-5-amine
CID 63150079
5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine
CID 105362504
2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 79017119

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine (CID 86794222) is 2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine is c1csc(CNc2nccnc2NCc2nccs2)n1.
What is the InChIKey of 2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine?
The InChIKey is DCDDDPSEJPDFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S2/c1-2-16-12(18-8-10-14-4-6-20-10)11(15-1)17-7-9-13-3-5-19-9/h1-6H,7-8H2,(H,15,17)(H,16,18).
What are the key properties of 2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine?
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine has a molecular weight of 304.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine is sourced from PubChem (CID 86794222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).