N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

C20H26N4O2S — CID 71841706

IUPACN-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCn1cccc1C(=O)N1CCCC(c2nc(CCNC(=O)C3CC3)cs2)C1
InChIInChI=1S/C20H26N4O2S/c1-23-10-3-5-17(23)20(26)24-11-2-4-15(12-24)19-22-16(13-27-19)8-9-21-18(25)14-6-7-14/h3,5,10,13-15H,2,4,6-9,11-12H2,1H3,(H,21,25)
InChIKeySLLBTTYBJNKHQJ-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.57
Rot. Bonds6

About N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (PubChem CID 71841706) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
PubChem CID71841706
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCn1cccc1C(=O)N1CCCC(c2nc(CCNC(=O)C3CC3)cs2)C1
InChIInChI=1S/C20H26N4O2S/c1-23-10-3-5-17(23)20(26)24-11-2-4-15(12-24)19-22-16(13-27-19)8-9-21-18(25)14-6-7-14/h3,5,10,13-15H,2,4,6-9,11-12H2,1H3,(H,21,25)
InChIKeySLLBTTYBJNKHQJ-UHFFFAOYSA-N
XLogP2.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (CID 71841706) is N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is Cn1cccc1C(=O)N1CCCC(c2nc(CCNC(=O)C3CC3)cs2)C1.
What is the InChIKey of N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is SLLBTTYBJNKHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-23-10-3-5-17(23)20(26)24-11-2-4-15(12-24)19-22-16(13-27-19)8-9-21-18(25)14-6-7-14/h3,5,10,13-15H,2,4,6-9,11-12H2,1H3,(H,21,25).
What are the key properties of N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 386.52 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71841706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).