N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C16H20N6OS — CID 71865754

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCn1cc(CC2CCN(C(=O)NCc3cn4ccsc4n3)C2)cn1
InChIInChI=1S/C16H20N6OS/c1-20-9-13(7-18-20)6-12-2-3-21(10-12)15(23)17-8-14-11-22-4-5-24-16(22)19-14/h4-5,7,9,11-12H,2-3,6,8,10H2,1H3,(H,17,23)
InChIKeyBQAUZESKSQWUMW-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.90
Rot. Bonds4

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 71865754) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID71865754
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCn1cc(CC2CCN(C(=O)NCc3cn4ccsc4n3)C2)cn1
InChIInChI=1S/C16H20N6OS/c1-20-9-13(7-18-20)6-12-2-3-21(10-12)15(23)17-8-14-11-22-4-5-24-16(22)19-14/h4-5,7,9,11-12H,2-3,6,8,10H2,1H3,(H,17,23)
InChIKeyBQAUZESKSQWUMW-UHFFFAOYSA-N
XLogP1.90
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 71865754) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is Cn1cc(CC2CCN(C(=O)NCc3cn4ccsc4n3)C2)cn1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is BQAUZESKSQWUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-20-9-13(7-18-20)6-12-2-3-21(10-12)15(23)17-8-14-11-22-4-5-24-16(22)19-14/h4-5,7,9,11-12H,2-3,6,8,10H2,1H3,(H,17,23).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71865754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).