2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole

C23H38N10S2 — CID 174800240

IUPAC2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole
SMILESC1=CNCC1.C1CCNC1.C1CNCN1.c1c[nH]cn1.c1cn[nH]c1.c1cnsc1.c1cscn1
InChIInChI=1S/C4H9N.C4H7N.C3H8N2.2C3H4N2.2C3H3NS/c2*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h5H,1-4H2;1,3,5H,2,4H2;4-5H,1-3H2;2*1-3H,(H,4,5);2*1-3H
InChIKeyGZWBKYSHYIYNQP-UHFFFAOYSA-N
MW518.76 g/mol
LogP3.11
Rot. Bonds

About 2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole

2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole (PubChem CID 174800240) has the molecular formula C23H38N10S2 and a molecular weight of 518.76 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole
PubChem CID174800240
Molecular FormulaC23H38N10S2
Molecular Weight518.76 g/mol
Exact Mass518.27
IUPAC Name2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole
SMILESC1=CNCC1.C1CCNC1.C1CNCN1.c1c[nH]cn1.c1cn[nH]c1.c1cnsc1.c1cscn1
InChIInChI=1S/C4H9N.C4H7N.C3H8N2.2C3H4N2.2C3H3NS/c2*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h5H,1-4H2;1,3,5H,2,4H2;4-5H,1-3H2;2*1-3H,(H,4,5);2*1-3H
InChIKeyGZWBKYSHYIYNQP-UHFFFAOYSA-N
XLogP3.11
TPSA131.26 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.76
LogP ≤ 53.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole?
The IUPAC name of 2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole (CID 174800240) is 2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole.
What is the SMILES notation for 2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole?
The canonical SMILES for 2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole is C1=CNCC1.C1CCNC1.C1CNCN1.c1c[nH]cn1.c1cn[nH]c1.c1cnsc1.c1cscn1.
What is the InChIKey of 2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole?
The InChIKey is GZWBKYSHYIYNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C4H7N.C3H8N2.2C3H4N2.2C3H3NS/c2*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h5H,1-4H2;1,3,5H,2,4H2;4-5H,1-3H2;2*1-3H,(H,4,5);2*1-3H.
What are the key properties of 2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole?
2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole has a molecular weight of 518.76 g/mol, XLogP of 3.11, 0 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrole;1H-imidazole;imidazolidine;1H-pyrazole;pyrrolidine;1,2-thiazole;1,3-thiazole is sourced from PubChem (CID 174800240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).