(3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine

C9H11N3OS — CID 130987719

IUPAC(3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine
SMILESCOc1cc(C(N)c2ccc[nH]2)sn1
InChIInChI=1S/C9H11N3OS/c1-13-8-5-7(14-12-8)9(10)6-3-2-4-11-6/h2-5,9,11H,10H2,1H3
InChIKeyDKWDEZIPLHYSRM-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.53
Rot. Bonds3

About (3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine

(3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine (PubChem CID 130987719) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is (3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound Name(3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine
PubChem CID130987719
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name(3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine
SMILESCOc1cc(C(N)c2ccc[nH]2)sn1
InChIInChI=1S/C9H11N3OS/c1-13-8-5-7(14-12-8)9(10)6-3-2-4-11-6/h2-5,9,11H,10H2,1H3
InChIKeyDKWDEZIPLHYSRM-UHFFFAOYSA-N
XLogP1.53
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxy-1,2-thiazol-5-yl)butan-2-amine
CID 126999942
3-methoxy-5-propan-2-yl-1,2-thiazole
CID 58942655
3-[bis(1H-pyrrol-2-yl)methyl]-6-methoxypyridazine
CID 171372030
2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one
CID 127000407
cyclopropyl-(3-methoxy-1,2-thiazol-5-yl)methanol
CID 130748192
2-[bis(1H-pyrrol-2-yl)methyl]-5-methoxypyrazine
CID 171371930
1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol
CID 130748198
(3-methoxy-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol
CID 130673824
(3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol
CID 130730400
1-(3-methoxy-1,2-thiazol-5-yl)but-3-yn-1-ol
CID 131036535
(1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride
CID 171221230
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine?
The IUPAC name of (3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine (CID 130987719) is (3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine.
What is the SMILES notation for (3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine?
The canonical SMILES for (3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine is COc1cc(C(N)c2ccc[nH]2)sn1.
What is the InChIKey of (3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine?
The InChIKey is DKWDEZIPLHYSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-13-8-5-7(14-12-8)9(10)6-3-2-4-11-6/h2-5,9,11H,10H2,1H3.
What are the key properties of (3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine?
(3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine has a molecular weight of 209.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 130987719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).