N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine

C10H13N3S — CID 79089800

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine
SMILESCc1nc(C(C)Nn2cccc2)cs1
InChIInChI=1S/C10H13N3S/c1-8(10-7-14-9(2)11-10)12-13-5-3-4-6-13/h3-8,12H,1-2H3
InChIKeyNLEZJMMVFILUBF-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.56
Rot. Bonds3

About N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine (PubChem CID 79089800) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine
PubChem CID79089800
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine
SMILESCc1nc(C(C)Nn2cccc2)cs1
InChIInChI=1S/C10H13N3S/c1-8(10-7-14-9(2)11-10)12-13-5-3-4-6-13/h3-8,12H,1-2H3
InChIKeyNLEZJMMVFILUBF-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459875
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43752001
(1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81396832
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine
CID 107588200
(1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81409314
2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43683530
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-3-amine
CID 66351418

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine (CID 79089800) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine is Cc1nc(C(C)Nn2cccc2)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine?
The InChIKey is NLEZJMMVFILUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8(10-7-14-9(2)11-10)12-13-5-3-4-6-13/h3-8,12H,1-2H3.
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine has a molecular weight of 207.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-1-amine is sourced from PubChem (CID 79089800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).