5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine

C10H13N3S — CID 104599809

IUPAC5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2cc[nH]c2)s1
InChIInChI=1S/C10H13N3S/c1-2-9-7-13-10(14-9)12-6-8-3-4-11-5-8/h3-5,7,11H,2,6H2,1H3,(H,12,13)
InChIKeyWSQDUVRSBGODPQ-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.65
Rot. Bonds4

About 5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine

5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 104599809) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID104599809
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2cc[nH]c2)s1
InChIInChI=1S/C10H13N3S/c1-2-9-7-13-10(14-9)12-6-8-3-4-11-5-8/h3-5,7,11H,2,6H2,1H3,(H,12,13)
InChIKeyWSQDUVRSBGODPQ-UHFFFAOYSA-N
XLogP2.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 4715084
3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
CID 90112516
[5-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-1H-pyrrol-2-yl]cyanamide
CID 90945481
5-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-1H-pyrrole-2-thiol
CID 90956579
2-(1H-Pyrrol-3-yl)-1,3-thiazole
CID 136249894
2-(4-methyl-1H-pyrrol-3-yl)-1,3-thiazole
CID 136445548
4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
CID 141340071
3-methyl-1H-pyrrole;5-methyl-1,3-thiazole
CID 142893857
2-(2-Methylsulfanylpyrrol-1-yl)-1,3-thiazole
CID 166959186
4-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1,3-thiazol-2-amine
CID 64436715
1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 66397491
N-[(1-methylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 66399001

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine (CID 104599809) is 5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine is CCc1cnc(NCc2cc[nH]c2)s1.
What is the InChIKey of 5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is WSQDUVRSBGODPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-2-9-7-13-10(14-9)12-6-8-3-4-11-5-8/h3-5,7,11H,2,6H2,1H3,(H,12,13).
What are the key properties of 5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 207.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 104599809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).