N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide

C18H24N4OS — CID 75370015

IUPACN-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1cscn1)NCc1ccnc(N2CCCCCC2)c1
InChIInChI=1S/C18H24N4OS/c23-18(6-5-16-13-24-14-21-16)20-12-15-7-8-19-17(11-15)22-9-3-1-2-4-10-22/h7-8,11,13-14H,1-6,9-10,12H2,(H,20,23)
InChIKeyCSGRYCPDMPKUGT-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.17
Rot. Bonds6

About N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide

N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 75370015) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide
PubChem CID75370015
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1cscn1)NCc1ccnc(N2CCCCCC2)c1
InChIInChI=1S/C18H24N4OS/c23-18(6-5-16-13-24-14-21-16)20-12-15-7-8-19-17(11-15)22-9-3-1-2-4-10-22/h7-8,11,13-14H,1-6,9-10,12H2,(H,20,23)
InChIKeyCSGRYCPDMPKUGT-UHFFFAOYSA-N
XLogP3.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 87005232
N-ethyl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 83273482
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679526
N-(2-pyridin-4-ylethyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185930
1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 134813239
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
N-[2-(dimethylamino)ethyl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185944
2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide (CID 75370015) is N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide is O=C(CCc1cscn1)NCc1ccnc(N2CCCCCC2)c1.
What is the InChIKey of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is CSGRYCPDMPKUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c23-18(6-5-16-13-24-14-21-16)20-12-15-7-8-19-17(11-15)22-9-3-1-2-4-10-22/h7-8,11,13-14H,1-6,9-10,12H2,(H,20,23).
What are the key properties of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide?
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 344.48 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 75370015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).