3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

C19H23N5OS — CID 29329184

IUPAC3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C19H23N5OS/c25-18(9-8-17-21-15-6-2-3-7-16(15)22-17)23-19-20-14(13-26-19)12-24-10-4-1-5-11-24/h2-3,6-7,13H,1,4-5,8-12H2,(H,21,22)(H,20,23,25)
InChIKeyDAMRFPXFODIJCQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.58
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 29329184) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID29329184
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C19H23N5OS/c25-18(9-8-17-21-15-6-2-3-7-16(15)22-17)23-19-20-14(13-26-19)12-24-10-4-1-5-11-24/h2-3,6-7,13H,1,4-5,8-12H2,(H,21,22)(H,20,23,25)
InChIKeyDAMRFPXFODIJCQ-UHFFFAOYSA-N
XLogP3.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
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3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 167983152
3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 30185079
3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 18145579
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30184294
N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 45497594
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
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N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31039066
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (CID 29329184) is 3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is O=C(CCc1nc2ccccc2[nH]1)Nc1nc(CN2CCCCC2)cs1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is DAMRFPXFODIJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c25-18(9-8-17-21-15-6-2-3-7-16(15)22-17)23-19-20-14(13-26-19)12-24-10-4-1-5-11-24/h2-3,6-7,13H,1,4-5,8-12H2,(H,21,22)(H,20,23,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 369.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 29329184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).