2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine

C9H11N5S — CID 80653268

IUPAC2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
SMILESCN(Cc1cscn1)c1cnc(N)cn1
InChIInChI=1S/C9H11N5S/c1-14(4-7-5-15-6-13-7)9-3-11-8(10)2-12-9/h2-3,5-6H,4H2,1H3,(H2,10,11)
InChIKeyITHUJTROZBMETP-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.15
Rot. Bonds3

About 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine

2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine (PubChem CID 80653268) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
PubChem CID80653268
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
SMILESCN(Cc1cscn1)c1cnc(N)cn1
InChIInChI=1S/C9H11N5S/c1-14(4-7-5-15-6-13-7)9-3-11-8(10)2-12-9/h2-3,5-6H,4H2,1H3,(H2,10,11)
InChIKeyITHUJTROZBMETP-UHFFFAOYSA-N
XLogP1.15
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 78929995
6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine
CID 79825816
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83266327
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771484
3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine
CID 115001003
6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine
CID 55013621
6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116796517
4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80961827
6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80814611
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3-diamine
CID 66278220
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine
CID 80814608
4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-5-amine
CID 62286192

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine?
The IUPAC name of 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine (CID 80653268) is 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine?
The canonical SMILES for 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine is CN(Cc1cscn1)c1cnc(N)cn1.
What is the InChIKey of 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine?
The InChIKey is ITHUJTROZBMETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-14(4-7-5-15-6-13-7)9-3-11-8(10)2-12-9/h2-3,5-6H,4H2,1H3,(H2,10,11).
What are the key properties of 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine?
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine has a molecular weight of 221.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine is sourced from PubChem (CID 80653268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).