4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine

C16H19N5S2 — CID 56876696

IUPAC4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cn2ccnc2-c2cc(CN3CCCC3)cs2)cs1
InChIInChI=1S/C16H19N5S2/c17-16-19-13(11-23-16)9-21-6-3-18-15(21)14-7-12(10-22-14)8-20-4-1-2-5-20/h3,6-7,10-11H,1-2,4-5,8-9H2,(H2,17,19)
InChIKeyBGOLFYQLJMBKSP-UHFFFAOYSA-N
MW345.50 g/mol
LogP3.29
Rot. Bonds5

About 4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine

4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 56876696) has the molecular formula C16H19N5S2 and a molecular weight of 345.50 g/mol. Its IUPAC name is 4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID56876696
Molecular FormulaC16H19N5S2
Molecular Weight345.50 g/mol
Exact Mass345.11
IUPAC Name4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cn2ccnc2-c2cc(CN3CCCC3)cs2)cs1
InChIInChI=1S/C16H19N5S2/c17-16-19-13(11-23-16)9-21-6-3-18-15(21)14-7-12(10-22-14)8-20-4-1-2-5-20/h3,6-7,10-11H,1-2,4-5,8-9H2,(H2,17,19)
InChIKeyBGOLFYQLJMBKSP-UHFFFAOYSA-N
XLogP3.29
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine (CID 56876696) is 4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine is Nc1nc(Cn2ccnc2-c2cc(CN3CCCC3)cs2)cs1.
What is the InChIKey of 4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is BGOLFYQLJMBKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S2/c17-16-19-13(11-23-16)9-21-6-3-18-15(21)14-7-12(10-22-14)8-20-4-1-2-5-20/h3,6-7,10-11H,1-2,4-5,8-9H2,(H2,17,19).
What are the key properties of 4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine?
4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 345.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56876696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).