N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine

C9H12N4S — CID 130782234

IUPACN-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NCCn2ccnc2)s1
InChIInChI=1S/C9H12N4S/c1-8-6-12-9(14-8)11-3-5-13-4-2-10-7-13/h2,4,6-7H,3,5H2,1H3,(H,11,12)
InChIKeyQAVOXHAAPLCRLJ-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.76
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine

N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 130782234) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID130782234
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NCCn2ccnc2)s1
InChIInChI=1S/C9H12N4S/c1-8-6-12-9(14-8)11-3-5-13-4-2-10-7-13/h2,4,6-7H,3,5H2,1H3,(H,11,12)
InChIKeyQAVOXHAAPLCRLJ-UHFFFAOYSA-N
XLogP1.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine
CID 66280404
N-(2-imidazol-1-ylethyl)-1-methyltetrazol-5-amine
CID 63150127
6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80809043
2-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine
CID 80896447
5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359501
4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80808824
ethyl 5-acetyl-2-(2-imidazol-1-ylethylamino)-1,3-thiazole-4-carboxylate
CID 107377667
N-(2-imidazol-1-ylethyl)pyrimidin-4-amine
CID 61325111
5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
CID 64623662
6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80809601
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 104878423
5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile
CID 115487555

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine (CID 130782234) is N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine is Cc1cnc(NCCn2ccnc2)s1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is QAVOXHAAPLCRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-8-6-12-9(14-8)11-3-5-13-4-2-10-7-13/h2,4,6-7H,3,5H2,1H3,(H,11,12).
What are the key properties of N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine?
N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 208.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 130782234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).